2-(trifluoromethyl)cyclohexane-1-carboxylic acid

2-(trifluoromethyl)cyclohexane-1-carboxylic acid

CAS: 384-20-3

Formula: C8H11F3O2

SMILES: OC(=O)C1CCCCC1C(F)(F)F

IUPAC: 2-(trifluoromethyl)cyclohexane-1-carboxylic acid

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

Composition: C (48.98%), H (5.65%), F (29.05%), O (16.31%)

Molar Mass: 196.169

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	196.071114083
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RAGWFGSHOZGADV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.25
Topological Polar Surface Area	37.3
Polarizability	14.85
Ring Count	1
Rotatable Bond Count	2

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