4-(3-cyclobutylphenyl)-2-fluorobenzoic acid

C17H15FO2 — CID 114605034

IUPAC4-(3-cyclobutylphenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cccc(C3CCC3)c2)cc1F
InChIInChI=1S/C17H15FO2/c18-16-10-14(7-8-15(16)17(19)20)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,19,20)
InChIKeyAKYCAPSHBPSAFP-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.46
Rot. Bonds3

About 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid

4-(3-cyclobutylphenyl)-2-fluorobenzoic acid (PubChem CID 114605034) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(3-cyclobutylphenyl)-2-fluorobenzoic acid
PubChem CID114605034
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name4-(3-cyclobutylphenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cccc(C3CCC3)c2)cc1F
InChIInChI=1S/C17H15FO2/c18-16-10-14(7-8-15(16)17(19)20)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,19,20)
InChIKeyAKYCAPSHBPSAFP-UHFFFAOYSA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(4-phenylcyclohexyl)benzoic acid
CID 18991194
2-(3-cyclobutylphenyl)-4-methylbenzoic acid
CID 114605045
2-(3-cyclobutylphenyl)-5-methylbenzoic acid
CID 114605041
3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid
CID 91485111
4-(3,5-difluorophenyl)-2-fluorobenzoic acid
CID 53211091
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
4-chloro-2-(4-cyclobutylphenyl)benzoic acid
CID 107989871
3-chloro-4-(3-cyclobutylphenyl)benzoic acid
CID 114605040
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone
CID 146140219
3-(3-phenylphenyl)piperidine-1-carbonyl chloride
CID 139549078

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid (CID 114605034) is 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid is O=C(O)c1ccc(-c2cccc(C3CCC3)c2)cc1F.
What is the InChIKey of 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid?
The InChIKey is AKYCAPSHBPSAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c18-16-10-14(7-8-15(16)17(19)20)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,19,20).
What are the key properties of 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid?
4-(3-cyclobutylphenyl)-2-fluorobenzoic acid has a molecular weight of 270.30 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutylphenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 114605034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).