2-chloro-4-(3-fluorophenyl)benzoate

C13H7ClFO2- — CID 86307112

IUPAC2-chloro-4-(3-fluorophenyl)benzoate
SMILESO=C([O-])c1ccc(-c2cccc(F)c2)cc1Cl
InChIInChI=1S/C13H8ClFO2/c14-12-7-9(4-5-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7H,(H,16,17)/p-1
InChIKeyRFGKDSXGCSFKAP-UHFFFAOYSA-M
MW249.65 g/mol
LogP2.51
Rot. Bonds2

About 2-chloro-4-(3-fluorophenyl)benzoate

2-chloro-4-(3-fluorophenyl)benzoate (PubChem CID 86307112) has the molecular formula C13H7ClFO2- and a molecular weight of 249.65 g/mol. Its IUPAC name is 2-chloro-4-(3-fluorophenyl)benzoate.

Molecular Properties

Compound Name2-chloro-4-(3-fluorophenyl)benzoate
PubChem CID86307112
Molecular FormulaC13H7ClFO2-
Molecular Weight249.65 g/mol
Exact Mass249.01
IUPAC Name2-chloro-4-(3-fluorophenyl)benzoate
SMILESO=C([O-])c1ccc(-c2cccc(F)c2)cc1Cl
InChIInChI=1S/C13H8ClFO2/c14-12-7-9(4-5-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7H,(H,16,17)/p-1
InChIKeyRFGKDSXGCSFKAP-UHFFFAOYSA-M
XLogP2.51
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
2-chloro-4-(2,4-difluorophenyl)benzoate
CID 86307272
2-chloro-4-(3-methoxycarbonylphenyl)benzoate
CID 86307307
4-(3-chlorophenyl)-2-fluorobenzoate
CID 86307091
2-(3-fluorophenyl)benzoate
CID 7022495
2-chloro-4-phenylbenzoic acid
CID 21487426
ethane;4-(3-fluorophenyl)-2-methylbenzoic acid
CID 143634129
(E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide
CID 70692229
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
4-fluorophthalate
CID 36688510
2-chloro-4-(3-methylsulfanylphenyl)benzoic acid
CID 53226407

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluorophenyl)benzoate?
The IUPAC name of 2-chloro-4-(3-fluorophenyl)benzoate (CID 86307112) is 2-chloro-4-(3-fluorophenyl)benzoate.
What is the SMILES notation for 2-chloro-4-(3-fluorophenyl)benzoate?
The canonical SMILES for 2-chloro-4-(3-fluorophenyl)benzoate is O=C([O-])c1ccc(-c2cccc(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-fluorophenyl)benzoate?
The InChIKey is RFGKDSXGCSFKAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8ClFO2/c14-12-7-9(4-5-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7H,(H,16,17)/p-1.
What are the key properties of 2-chloro-4-(3-fluorophenyl)benzoate?
2-chloro-4-(3-fluorophenyl)benzoate has a molecular weight of 249.65 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluorophenyl)benzoate is sourced from PubChem (CID 86307112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).