cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

C13H13F3O3 — CID 99996074

IUPACcis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@](O)(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-9(2-4-10)12(19)6-5-8(7-12)11(17)18/h1-4,8,19H,5-7H2,(H,17,18)/t8-,12-/m1/s1
InChIKeyXPWHWTUHXRJVAA-PRHODGIISA-N
MW274.24 g/mol
LogP2.78
Rot. Bonds2

About cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 99996074) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID99996074
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Namecis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@](O)(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-9(2-4-10)12(19)6-5-8(7-12)11(17)18/h1-4,8,19H,5-7H2,(H,17,18)/t8-,12-/m1/s1
InChIKeyXPWHWTUHXRJVAA-PRHODGIISA-N
XLogP2.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid
CID 99996064
3-fluoro-3-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 127263565
4-hydroxy-4-phenylcyclohexane-1-carboxylic acid
CID 58909501
9-oxo-3-[4-(trifluoromethyl)phenyl]-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171955758
3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 83915930
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 68673384
(1R,3S,4S)-3,4-diamino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;dihydrochloride
CID 139433706
2-[4-(trifluoromethyl)phenyl]cyclobutane-1,1-dicarboxylic acid
CID 175364146
(1S,3R,5R)-8-[[2,5-bis(trifluoromethyl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 89105435
(1S,3R,5R)-8-(4-propan-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69240062
4-hydroxy-4-(4-pentylphenyl)cyclohexane-1-carboxylic acid
CID 23181686
2-[4-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 117194054

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (CID 99996074) is cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@](O)(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is XPWHWTUHXRJVAA-PRHODGIISA-N. The full InChI is InChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-9(2-4-10)12(19)6-5-8(7-12)11(17)18/h1-4,8,19H,5-7H2,(H,17,18)/t8-,12-/m1/s1.
What are the key properties of cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 99996074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).