5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid

C14H7ClFNO3 — CID 61395759

IUPAC5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2C(=O)O)c(F)c1
InChIInChI=1S/C14H7ClFNO3/c15-9-2-4-12(10(6-9)14(18)19)20-13-3-1-8(7-17)5-11(13)16/h1-6H,(H,18,19)
InChIKeyRVMMXGDHUMEVDH-UHFFFAOYSA-N
MW291.67 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid

5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid (PubChem CID 61395759) has the molecular formula C14H7ClFNO3 and a molecular weight of 291.67 g/mol. Its IUPAC name is 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
PubChem CID61395759
Molecular FormulaC14H7ClFNO3
Molecular Weight291.67 g/mol
Exact Mass291.01
IUPAC Name5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2C(=O)O)c(F)c1
InChIInChI=1S/C14H7ClFNO3/c15-9-2-4-12(10(6-9)14(18)19)20-13-3-1-8(7-17)5-11(13)16/h1-6H,(H,18,19)
InChIKeyRVMMXGDHUMEVDH-UHFFFAOYSA-N
XLogP3.84
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.67
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
5-chloro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61395827
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
CID 107665713
2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid
CID 82801775
2-amino-4-(4-cyano-2-fluorophenoxy)benzoic acid
CID 107667496
4-(4-chloro-2-nitrophenoxy)-3-fluorobenzonitrile
CID 43657467
5-chloro-6-(4-cyano-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 107670301
4-(4-bromo-2-chlorophenoxy)-3-fluorobenzonitrile
CID 43657480
5-bromo-2-(4-cyano-2,6-difluorophenoxy)benzoic acid
CID 107730249
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
4-(4-bromo-2-fluorophenoxy)-3-chlorobenzonitrile
CID 55180064

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid?
The IUPAC name of 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid (CID 61395759) is 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid.
What is the SMILES notation for 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid?
The canonical SMILES for 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid is N#Cc1ccc(Oc2ccc(Cl)cc2C(=O)O)c(F)c1.
What is the InChIKey of 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid?
The InChIKey is RVMMXGDHUMEVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO3/c15-9-2-4-12(10(6-9)14(18)19)20-13-3-1-8(7-17)5-11(13)16/h1-6H,(H,18,19).
What are the key properties of 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid?
5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid has a molecular weight of 291.67 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid is sourced from PubChem (CID 61395759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).