2-(3-fluorophenyl)benzoate

C13H8FO2- — CID 7022495

IUPAC2-(3-fluorophenyl)benzoate
SMILESO=C([O-])c1ccccc1-c1cccc(F)c1
InChIInChI=1S/C13H9FO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16)/p-1
InChIKeyGEZNPQHOTCPFEL-UHFFFAOYSA-M
MW215.20 g/mol
LogP1.86
Rot. Bonds2

About 2-(3-fluorophenyl)benzoate

2-(3-fluorophenyl)benzoate (PubChem CID 7022495) has the molecular formula C13H8FO2- and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(3-fluorophenyl)benzoate.

Molecular Properties

Compound Name2-(3-fluorophenyl)benzoate
PubChem CID7022495
Molecular FormulaC13H8FO2-
Molecular Weight215.20 g/mol
Exact Mass215.05
IUPAC Name2-(3-fluorophenyl)benzoate
SMILESO=C([O-])c1ccccc1-c1cccc(F)c1
InChIInChI=1S/C13H9FO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16)/p-1
InChIKeyGEZNPQHOTCPFEL-UHFFFAOYSA-M
XLogP1.86
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-hydroxybenzamide
CID 1393554
5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid
CID 19036881
2-fluoro-3-(3-fluorophenyl)benzoyl chloride
CID 46312371
2-chloro-4-(3-fluorophenyl)benzoate
CID 86307112
2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
CID 46313199
4-(2-acetylphenyl)-2-fluorobenzoate
CID 86307867
2-[2,3-bis(2-carboxylatophenyl)phenyl]benzoate;iron(3+)
CID 67068177
azulene-1,3-dicarboxylate
CID 140764257
(E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 118725316
barium(2+);3-phenylphthalate
CID 141391844
dilithium;3-phenylphthalate
CID 130387255
2-(1,3-benzodioxol-5-yl)benzoate
CID 7022485

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)benzoate?
The IUPAC name of 2-(3-fluorophenyl)benzoate (CID 7022495) is 2-(3-fluorophenyl)benzoate.
What is the SMILES notation for 2-(3-fluorophenyl)benzoate?
The canonical SMILES for 2-(3-fluorophenyl)benzoate is O=C([O-])c1ccccc1-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)benzoate?
The InChIKey is GEZNPQHOTCPFEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9FO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16)/p-1.
What are the key properties of 2-(3-fluorophenyl)benzoate?
2-(3-fluorophenyl)benzoate has a molecular weight of 215.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)benzoate is sourced from PubChem (CID 7022495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).