4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

CAS: 1163729-47-2

Formula: C8H11F3O3

SMILES: OC(=O)C1CCC(O)(CC1)C(F)(F)F

IUPAC: 4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

InChI: InChI=1S/C8H11F3O3/c9-8(10,11)7(14)3-1-5(2-4-7)6(12)13/h5,14H,1-4H2,(H,12,13)

Composition: C (45.29%), H (5.23%), F (26.86%), O (22.62%)

Molar Mass: 212.168

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	212.066028703
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FIUBKGKIMNZJSO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.86
Topological Polar Surface Area	57.53
Polarizability	15.59
Ring Count	1
Rotatable Bond Count	2

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