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

C12H11F3O3 — CID 117404247

IUPAC1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)8-6-7(2-3-9(8)16)11(10(17)18)4-1-5-11/h2-3,6,16H,1,4-5H2,(H,17,18)
InChIKeyIUDNMFMIEGACJP-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.92
Rot. Bonds2

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

1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 117404247) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID117404247
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)8-6-7(2-3-9(8)16)11(10(17)18)4-1-5-11/h2-3,6,16H,1,4-5H2,(H,17,18)
InChIKeyIUDNMFMIEGACJP-UHFFFAOYSA-N
XLogP2.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-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]cyclopentane-1-carboxylic acid
CID 117437895
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclobutane-1-carboxylic acid
CID 117357152
1-[2,3-dihydroxy-6-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117489484
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid
CID 117465606
1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 83731582
4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol
CID 117333712
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid
CID 117328252
1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
CID 117336681
1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid
CID 117457844

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid (CID 117404247) is 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc(O)c(C(F)(F)F)c2)CCC1.
What is the InChIKey of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is IUDNMFMIEGACJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3/c13-12(14,15)8-6-7(2-3-9(8)16)11(10(17)18)4-1-5-11/h2-3,6,16H,1,4-5H2,(H,17,18).
What are the key properties of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid?
1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 2.92, 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]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117404247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).