4-Amino-1- (3-fluorophenyl) cyclohexan-1-ol

CAT: 0926-LIC70881-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LIC70881-01Size:50 mg

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CAS Number

1461708-81-5

MDL Number

MFCD21321355

Smiles

C1CC (CCC1N) (C2=CC (=CC=C2) F) O

Molecular Formula

C12H16FNO

Molecular Weight

209.26 g/mol

Controlled

Chemical Information

4-Amino-1-(3-fluorophenyl)cyclohexan-1-ol

CAS Number	1461708-81-5
PubChem CID	65916153
IUPAC Name	4-amino-1-(3-fluorophenyl)cyclohexan-1-ol
Molecular Formula	C12H16FNO
Molecular Weight	209.26
XLogP	1.3
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	214

SMILES

C1CC(CCC1N)(C2=CC(=CC=C2)F)O

InChI

InChI=1S/C12H16FNO/c13-10-3-1-2-9(8-10)12(15)6-4-11(14)5-7-12/h1-3,8,11,15H,4-7,14H2

InChIKey

RDEMVLPONBVSLS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1461708-81-5

CID: 65916153

Formula: C12H16FNO

MW: 209.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.26
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	209.121592296
Monoisotopic Mass	209.121592296
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BAA49636	1- (4-Fluorophenyl) cyclohexan-1-ol
CWB96408-01	4-[ (4-Methylcyclohexyl) amino]cyclohexan-1-ol
CYB41198-01	4-Amino-1- (trifluoromethyl) cyclohexan-1-ol
SAA38080-01	1- (4-Fluorophenyl) cyclohexan-1-amine
TMD05176-01	Rac- (1R,4R) -4-{[ (2-Fluorophenyl) methyl]amino}cyclohexan-1-ol hydrochloride
PFA36019-01	Rac- (1R,2S) -2- (4-Fluorophenyl) cyclohexan-1-ol
DXC60671-01	4-Amino-4- (trifluoromethyl) cyclohexan-1-ol hydrochloride, somers
UFC74796-01	3-Amino-1- (4-fluorophenyl) butan-1-ol
LIC70719-01	4- (4-Fluorophenyl) cyclohexan-1-amine hydrochloride
FWC53219-01	4- (Difluoromethyl) cyclohexan-1-ol

Catalog	Name
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