4-(2-acetylphenyl)-2-fluorobenzoate

C15H10FO3- — CID 86307867

IUPAC4-(2-acetylphenyl)-2-fluorobenzoate
SMILESCC(=O)c1ccccc1-c1ccc(C(=O)[O-])c(F)c1
InChIInChI=1S/C15H11FO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-13(15(18)19)14(16)8-10/h2-8H,1H3,(H,18,19)/p-1
InChIKeyXTPPPCROVGUUCV-UHFFFAOYSA-M
MW257.24 g/mol
LogP2.06
Rot. Bonds3

About 4-(2-acetylphenyl)-2-fluorobenzoate

4-(2-acetylphenyl)-2-fluorobenzoate (PubChem CID 86307867) has the molecular formula C15H10FO3- and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-(2-acetylphenyl)-2-fluorobenzoate.

Molecular Properties

Compound Name4-(2-acetylphenyl)-2-fluorobenzoate
PubChem CID86307867
Molecular FormulaC15H10FO3-
Molecular Weight257.24 g/mol
Exact Mass257.06
IUPAC Name4-(2-acetylphenyl)-2-fluorobenzoate
SMILESCC(=O)c1ccccc1-c1ccc(C(=O)[O-])c(F)c1
InChIInChI=1S/C15H11FO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-13(15(18)19)14(16)8-10/h2-8H,1H3,(H,18,19)/p-1
InChIKeyXTPPPCROVGUUCV-UHFFFAOYSA-M
XLogP2.06
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-acetylphenyl)-2-fluorobenzoate 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

4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
2-(3-fluorophenyl)benzoate
CID 7022495
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
1-[2-[4-[4-(2-acetylphenyl)-N-[4-(2-acetylphenyl)phenyl]anilino]phenyl]phenyl]ethanone
CID 122435887
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
4-(3-chlorophenyl)-2-fluorobenzoate
CID 86307091
lithium 2-fluorobenzoate
CID 19205780
2-(4-acetyl-3-fluorophenyl)-N-tert-butylbenzenesulfinamide
CID 137396161
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
1-[2-(3-amino-4-sulfanylphenyl)phenyl]ethanone
CID 139776798
1-[2-(3,4-diethoxyphenyl)phenyl]ethanone
CID 61025839

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylphenyl)-2-fluorobenzoate?
The IUPAC name of 4-(2-acetylphenyl)-2-fluorobenzoate (CID 86307867) is 4-(2-acetylphenyl)-2-fluorobenzoate.
What is the SMILES notation for 4-(2-acetylphenyl)-2-fluorobenzoate?
The canonical SMILES for 4-(2-acetylphenyl)-2-fluorobenzoate is CC(=O)c1ccccc1-c1ccc(C(=O)[O-])c(F)c1.
What is the InChIKey of 4-(2-acetylphenyl)-2-fluorobenzoate?
The InChIKey is XTPPPCROVGUUCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11FO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-13(15(18)19)14(16)8-10/h2-8H,1H3,(H,18,19)/p-1.
What are the key properties of 4-(2-acetylphenyl)-2-fluorobenzoate?
4-(2-acetylphenyl)-2-fluorobenzoate has a molecular weight of 257.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylphenyl)-2-fluorobenzoate is sourced from PubChem (CID 86307867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).