3-[(2-fluorophenyl)methyl]benzoic acid

C14H11FO2 — CID 86242879

IUPAC3-[(2-fluorophenyl)methyl]benzoic acid
SMILESO=C(O)c1cccc(Cc2ccccc2F)c1
InChIInChI=1S/C14H11FO2/c15-13-7-2-1-5-11(13)8-10-4-3-6-12(9-10)14(16)17/h1-7,9H,8H2,(H,16,17)
InChIKeyCZSZCSAISNYONS-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.11
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]benzoic acid

3-[(2-fluorophenyl)methyl]benzoic acid (PubChem CID 86242879) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]benzoic acid
PubChem CID86242879
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name3-[(2-fluorophenyl)methyl]benzoic acid
SMILESO=C(O)c1cccc(Cc2ccccc2F)c1
InChIInChI=1S/C14H11FO2/c15-13-7-2-1-5-11(13)8-10-4-3-6-12(9-10)14(16)17/h1-7,9H,8H2,(H,16,17)
InChIKeyCZSZCSAISNYONS-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[(2-fluorophenyl)methylsulfonylamino]ethyl]benzoic acid
CID 166224473
3-fluoro-4-[(3-fluorophenyl)methyl]benzoic acid
CID 67973995
methyl 4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoate
CID 75049792
(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-N-[3-[[(E)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoyl]amino]propyl]-4-hydroxy-2-oxobut-3-enamide
CID 20833742
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
3-[(2-fluorophenyl)methyl-hydroxycarbamoyl]benzoic acid
CID 175287376
2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884
3-[(benzylamino)methyl]-4-fluorobenzoic acid
CID 68881519
3-[(4-fluorophenyl)methyl]-4-[[3-[(4-fluorophenyl)methyl]benzoyl]amino]benzoic acid
CID 11683958
2,4-dioxo-4-[3-[[2-(trifluoromethyl)phenyl]methyl]phenyl]butanoic acid
CID 22613120
3-[[(2,6-difluorophenyl)methylsulfonylamino]methyl]benzoic acid
CID 146090755
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]benzoic acid?
The IUPAC name of 3-[(2-fluorophenyl)methyl]benzoic acid (CID 86242879) is 3-[(2-fluorophenyl)methyl]benzoic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]benzoic acid?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]benzoic acid is O=C(O)c1cccc(Cc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]benzoic acid?
The InChIKey is CZSZCSAISNYONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-13-7-2-1-5-11(13)8-10-4-3-6-12(9-10)14(16)17/h1-7,9H,8H2,(H,16,17).
What are the key properties of 3-[(2-fluorophenyl)methyl]benzoic acid?
3-[(2-fluorophenyl)methyl]benzoic acid has a molecular weight of 230.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]benzoic acid is sourced from PubChem (CID 86242879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).