2-[4- (Trifluoromethyl) phenyl]cyclohexan-1-amine

CAT: 0926-AFC47381-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-AFC47381-01Size:50 mg

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CAS Number

1375473-81-6

MDL Number

MFCD17536170

Smiles

C1CCC (C (C1) C2=CC=C (C=C2) C (F) (F) F) N

Molecular Formula

C13H16F3N

Molecular Weight

243.27 g/mol

Controlled

Chemical Information

2-[4-(Trifluoromethyl)phenyl]cyclohexan-1-amine

CAS Number	1375473-81-6
PubChem CID	62801275
IUPAC Name	2-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
Molecular Formula	C13H16F3N
Molecular Weight	243.27
XLogP	3.4
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	244

SMILES

C1CCC(C(C1)C2=CC=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C13H16F3N/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h5-8,11-12H,1-4,17H2

InChIKey

WRIJGHCYWSMVLS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1375473-81-6

CID: 62801275

Formula: C13H16F3N

MW: 243.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.27
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	243.12348400
Monoisotopic Mass	243.12348400
Topological Polar Surface Area	26 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CCA77613-01	2-[4- (Trifluoromethyl) phenyl]cyclohexan-1-one
AFA80222-01	1-[3- (Trifluoromethyl) phenyl]cyclohexan-1-amine hydrochloride
QBA50393-01	4-[3- (Trifluoromethyl) phenyl]cyclohexan-1-one
BHC65441-01	2-[2- (Trifluoromethyl) phenyl]cycloheptan-1-amine
BKD15954-01	4,4-Difluoro-1- (trifluoromethyl) cyclohexan-1-amine hydrochloride
LCC31520-01	1- (Trifluoromethyl) cyclohexan-1-amine hydrochloride
AHB38646-01	N-Methyl-4- (trifluoromethyl) cyclohexan-1-amine hydrochloride
ZXB77959-01	Ethyl ({2-[4- (trifluoromethyl) phenyl]ethyl}) amine
MBA14887-01	4-[4- (Trifluoromethyl) phenyl]-1H-imidazol-2-amine
TYB94332-01	Rac- (1R,4R) -4- (Trifluoromethyl) cyclohexan-1-amine hydrochloride

Catalog	Name
PC106082-01	(1R,4R) -4- (Trifluoromethyl) cyclohexan-1-amine
PC51383	Rac- (1R,3S) -3-[4- (Trifluoromethyl) phenyl]cyclohexan-1-amine hydrochloride
sc-261541A	4- (Trifluoromethyl) cyclohexan-1-one
sc-261540	4- (Trifluoromethyl) cyclohexan-1-ol
PC1005023-01	2- (4- (Trifluoromethyl) phenyl) pyrimidin-4-amine
PC100659-01	4- (4- (Trifluoromethyl) phenyl) pyrimidin-2-amine
PC201327	4- (4- (Trifluoromethyl) phenyl) oxazol-2-amine
PC102049-01	2- (4- (Trifluoromethyl) phenyl) propan-2-amine
PC106974	2-[4- (Trifluoromethyl) phenyl]ethan-1-amine hydrochloride
PC5618-01	4-[4- (Trifluoromethyl) phenyl]-1,3-thiazol-2-amine