(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid

C15H17F3O3 — CID 129386467

IUPAC(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)[C@H](c1cccc(C(F)(F)F)c1)C1(O)CCCCC1
InChIInChI=1S/C15H17F3O3/c16-15(17,18)11-6-4-5-10(9-11)12(13(19)20)14(21)7-2-1-3-8-14/h4-6,9,12,21H,1-3,7-8H2,(H,19,20)/t12-/m0/s1
InChIKeyAGUXIBJEWUEHLS-LBPRGKRZSA-N
MW302.29 g/mol
LogP3.57
Rot. Bonds3

About (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid

(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 129386467) has the molecular formula C15H17F3O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID129386467
Molecular FormulaC15H17F3O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)[C@H](c1cccc(C(F)(F)F)c1)C1(O)CCCCC1
InChIInChI=1S/C15H17F3O3/c16-15(17,18)11-6-4-5-10(9-11)12(13(19)20)14(21)7-2-1-3-8-14/h4-6,9,12,21H,1-3,7-8H2,(H,19,20)/t12-/m0/s1
InChIKeyAGUXIBJEWUEHLS-LBPRGKRZSA-N
XLogP3.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 142686187
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
CID 103452078
[(3S)-1-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]carbamic acid
CID 68853149
[(2R)-6-(1-hydroxycyclohexyl)-4-imino-5-oxo-6-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate
CID 174524491
tert-butyl 4-[2-(1-hydroxycyclobutyl)-2-[3-(trifluoromethyl)phenyl]acetyl]piperazine-1-carboxylate
CID 68862687
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
CID 103452163
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313
1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride
CID 11718973
4-[(2S)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperazine-1-carboxylic acid
CID 174506052
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 129386467) is (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid is O=C(O)[C@H](c1cccc(C(F)(F)F)c1)C1(O)CCCCC1.
What is the InChIKey of (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is AGUXIBJEWUEHLS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17F3O3/c16-15(17,18)11-6-4-5-10(9-11)12(13(19)20)14(21)7-2-1-3-8-14/h4-6,9,12,21H,1-3,7-8H2,(H,19,20)/t12-/m0/s1.
What are the key properties of (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 302.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 129386467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).