2- (Trifluoromethyl) cyclohexanecarboxylic acid

CAT: 0127-PC520811-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC520811-01Size:100 mg

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CAS Number

384-20-3

MDL Number

MFCD09811959

Purity

98%

Smiles

OC(=O)C1CCCCC1C(F)(F)F

Chemical Information

2-(Trifluoromethyl)cyclohexane-1-carboxylic acid

CAS Number	384-20-3
PubChem CID	18071376
IUPAC Name	2-(trifluoromethyl)cyclohexane-1-carboxylic acid
Molecular Formula	C8H11F3O2
Molecular Weight	196.17
XLogP	2.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	200

SMILES

C1CCC(C(C1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C8H11F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H,12,13)

InChIKey

RAGWFGSHOZGADV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 384-20-3

CID: 18071376

Formula: C8H11F3O2

MW: 196.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.17
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	196.07111408
Monoisotopic Mass	196.07111408
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200
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
PC1006663-01	3- (Trifluoromethyl) cyclohexanecarboxylic acid
PC906397-01	Cis-4- (trifluoromethyl) cyclohexanecarboxylic acid
PC201120-01	(1R,4R) -4- (Trifluoromethyl) cyclohexanecarboxylic acid
PC201037	4-Hydroxy-4- (trifluoromethyl) cyclohexanecarboxylic acid
PC520700-01	4- (Trifluoromethyl) cyclohexanecarboxylic acid methyl ester
OR1063266-01	2- (Methoxycarbonyl) cyclohexanecarboxylic acid
BUP18049	Cyclohexanecarboxylic Acid
OR40331-01	Cyclohexanecarboxylic acid
OR10250	2- (Cyclopropylcarbamoyl) cyclohexanecarboxylic acid
PC510121	4-Oxo-1-[3- (trifluoromethyl) phenyl]cyclohexanecarboxylic acid

Catalog	Name
sc-348463	4- (trifluoromethyl) cyclohexanecarboxylic acid
sc-297679A	1- (Trifluoromethyl) cyclohexanecarboxylic acid
sc-476514	Cis-4- (Trifluoromethyl) cyclohexanecarboxylic Acid
sc-391149	Trans-4- (Trifluoromethyl) cyclohexanecarboxylic Acid
432670-01	4-Hydroxy-4- (trifluoromethyl) cyclohexanecarboxylic acid
sc-226442	4- (Trifluoromethyl) cyclohexanecarboxylic acid, mixture of cis and trans
FB169468	2- (N- (3,5-Bis (trifluoromethyl) phenyl) carbamoyl) cyclohexanecarboxylic acid
WXB04528-01	Trans-4- ((((1- (quinolin-2-ylmethyl) -5- (trifluoromethyl) -1H-indol-7 yl) carbonyl) amino) methyl) cyclohexanecarboxylic acid methanesu lfonate
379994	Cyclohexanecarboxylic acid