2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid

C14H7F2NO3 — CID 107016444

IUPAC2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid
SMILESN#Cc1cc(F)ccc1Oc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H7F2NO3/c15-9-4-5-11(8(6-9)7-17)20-12-3-1-2-10(16)13(12)14(18)19/h1-6H,(H,18,19)
InChIKeySTPDGQNQBHVTMO-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.33
Rot. Bonds3

About 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid

2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid (PubChem CID 107016444) has the molecular formula C14H7F2NO3 and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid
PubChem CID107016444
Molecular FormulaC14H7F2NO3
Molecular Weight275.21 g/mol
Exact Mass275.04
IUPAC Name2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid
SMILESN#Cc1cc(F)ccc1Oc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H7F2NO3/c15-9-4-5-11(8(6-9)7-17)20-12-3-1-2-10(16)13(12)14(18)19/h1-6H,(H,18,19)
InChIKeySTPDGQNQBHVTMO-UHFFFAOYSA-N
XLogP3.33
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 79515985
2-(2-cyano-3-methylsulfanylphenoxy)-6-fluorobenzoic acid
CID 107016315
2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
CID 79511667
2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile
CID 113458317
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931
5-fluoro-2-(2-nitrophenoxy)benzonitrile
CID 63668372
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660
N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 82683757
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
2-chloro-6-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
CID 107905985
2-(2-tert-butylphenoxy)-5-fluorobenzonitrile
CID 63668027

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid?
The IUPAC name of 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid (CID 107016444) is 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid?
The canonical SMILES for 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid is N#Cc1cc(F)ccc1Oc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid?
The InChIKey is STPDGQNQBHVTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO3/c15-9-4-5-11(8(6-9)7-17)20-12-3-1-2-10(16)13(12)14(18)19/h1-6H,(H,18,19).
What are the key properties of 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid?
2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid has a molecular weight of 275.21 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid is sourced from PubChem (CID 107016444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).