4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid

C20H20F2O2 — CID 70133181

IUPAC4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(F)c2F)CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H20F2O2/c21-17-8-4-7-16(18(17)22)20(19(23)24)11-9-15(10-12-20)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,23,24)
InChIKeyFBOGOWCGVGDQNF-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.72
Rot. Bonds4

About 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid

4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid (PubChem CID 70133181) has the molecular formula C20H20F2O2 and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid
PubChem CID70133181
Molecular FormulaC20H20F2O2
Molecular Weight330.37 g/mol
Exact Mass330.14
IUPAC Name4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(F)c2F)CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H20F2O2/c21-17-8-4-7-16(18(17)22)20(19(23)24)11-9-15(10-12-20)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,23,24)
InChIKeyFBOGOWCGVGDQNF-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-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-[3-fluoro-2-(fluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117388729
1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 82304051
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-[(2,3-difluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65423548
1-[2-(difluoromethyl)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117361937
1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65014142
1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 108980004
1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64906471
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971633
1-[2-(dimethylamino)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117114309
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid (CID 70133181) is 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2cccc(F)c2F)CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid?
The InChIKey is FBOGOWCGVGDQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O2/c21-17-8-4-7-16(18(17)22)20(19(23)24)11-9-15(10-12-20)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,23,24).
What are the key properties of 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid?
4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid has a molecular weight of 330.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 70133181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).