4-(3-chlorophenyl)-2-fluorobenzoate

C13H7ClFO2- — CID 86307091

IUPAC4-(3-chlorophenyl)-2-fluorobenzoate
SMILESO=C([O-])c1ccc(-c2cccc(Cl)c2)cc1F
InChIInChI=1S/C13H8ClFO2/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(15)7-9/h1-7H,(H,16,17)/p-1
InChIKeyMNRXPTXPQMHPAT-UHFFFAOYSA-M
MW249.65 g/mol
LogP2.51
Rot. Bonds2

About 4-(3-chlorophenyl)-2-fluorobenzoate

4-(3-chlorophenyl)-2-fluorobenzoate (PubChem CID 86307091) has the molecular formula C13H7ClFO2- and a molecular weight of 249.65 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-fluorobenzoate.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-fluorobenzoate
PubChem CID86307091
Molecular FormulaC13H7ClFO2-
Molecular Weight249.65 g/mol
Exact Mass249.01
IUPAC Name4-(3-chlorophenyl)-2-fluorobenzoate
SMILESO=C([O-])c1ccc(-c2cccc(Cl)c2)cc1F
InChIInChI=1S/C13H8ClFO2/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(15)7-9/h1-7H,(H,16,17)/p-1
InChIKeyMNRXPTXPQMHPAT-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-fluorobenzoate?
The IUPAC name of 4-(3-chlorophenyl)-2-fluorobenzoate (CID 86307091) is 4-(3-chlorophenyl)-2-fluorobenzoate.
What is the SMILES notation for 4-(3-chlorophenyl)-2-fluorobenzoate?
The canonical SMILES for 4-(3-chlorophenyl)-2-fluorobenzoate is O=C([O-])c1ccc(-c2cccc(Cl)c2)cc1F.
What is the InChIKey of 4-(3-chlorophenyl)-2-fluorobenzoate?
The InChIKey is MNRXPTXPQMHPAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8ClFO2/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(15)7-9/h1-7H,(H,16,17)/p-1.
What are the key properties of 4-(3-chlorophenyl)-2-fluorobenzoate?
4-(3-chlorophenyl)-2-fluorobenzoate 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 4-(3-chlorophenyl)-2-fluorobenzoate is sourced from PubChem (CID 86307091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).