2-benzyl-4-fluorobenzoic acid

C14H11FO2 — CID 68960960

IUPAC2-benzyl-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1Cc1ccccc1
InChIInChI=1S/C14H11FO2/c15-12-6-7-13(14(16)17)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKeyAASSYIXAESSSPO-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.11
Rot. Bonds3

About 2-benzyl-4-fluorobenzoic acid

2-benzyl-4-fluorobenzoic acid (PubChem CID 68960960) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-benzyl-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-benzyl-4-fluorobenzoic acid
PubChem CID68960960
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name2-benzyl-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1Cc1ccccc1
InChIInChI=1S/C14H11FO2/c15-12-6-7-13(14(16)17)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKeyAASSYIXAESSSPO-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

2-(benzylsulfanylmethyl)-4-fluorobenzoic acid
CID 114014735
4-fluoro-2-(phenylmethoxymethyl)benzoic acid
CID 107908401
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-benzyl-4-cyanobenzoic acid
CID 174901018
(2-benzyl-4-fluorophenyl) carbamate
CID 150789163
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-[(dimethylamino)methyl]-4-fluorobenzoic acid
CID 107907408
5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
2-[(4-carboxyphenyl)methyl]terephthalic acid
CID 14323682
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
N-(2-benzyl-4-fluorophenyl)-2-hydroxyacetamide
CID 67711823
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-fluorobenzoic acid?
The IUPAC name of 2-benzyl-4-fluorobenzoic acid (CID 68960960) is 2-benzyl-4-fluorobenzoic acid.
What is the SMILES notation for 2-benzyl-4-fluorobenzoic acid?
The canonical SMILES for 2-benzyl-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-fluorobenzoic acid?
The InChIKey is AASSYIXAESSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-12-6-7-13(14(16)17)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17).
What are the key properties of 2-benzyl-4-fluorobenzoic acid?
2-benzyl-4-fluorobenzoic 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 2-benzyl-4-fluorobenzoic acid is sourced from PubChem (CID 68960960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).