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

C13H13F3O3 — CID 117437895

IUPAC1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)9-7-8(3-4-10(9)17)12(11(18)19)5-1-2-6-12/h3-4,7,17H,1-2,5-6H2,(H,18,19)
InChIKeySJGFKQFJDWQNKJ-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.31
Rot. Bonds2

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

1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117437895) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117437895
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)9-7-8(3-4-10(9)17)12(11(18)19)5-1-2-6-12/h3-4,7,17H,1-2,5-6H2,(H,18,19)
InChIKeySJGFKQFJDWQNKJ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic 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-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117404247
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-[2,3-dihydroxy-6-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117489484
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclobutane-1-carboxylic acid
CID 117357152
1-(3-hydroxy-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117384299
1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid
CID 117457844
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 83731582
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614
4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol
CID 117333712
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid
CID 117328252

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (CID 117437895) is 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(O)c(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is SJGFKQFJDWQNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c14-13(15,16)9-7-8(3-4-10(9)17)12(11(18)19)5-1-2-6-12/h3-4,7,17H,1-2,5-6H2,(H,18,19).
What are the key properties of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117437895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).