2-(3,4-difluorophenoxy)-6-fluorobenzoic acid

C13H7F3O3 — CID 79510931

IUPAC2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H7F3O3/c14-8-5-4-7(6-10(8)16)19-11-3-1-2-9(15)12(11)13(17)18/h1-6H,(H,17,18)
InChIKeyDBZHSRLILNRGDK-UHFFFAOYSA-N
MW268.19 g/mol
LogP3.59
Rot. Bonds3

About 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid

2-(3,4-difluorophenoxy)-6-fluorobenzoic acid (PubChem CID 79510931) has the molecular formula C13H7F3O3 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
PubChem CID79510931
Molecular FormulaC13H7F3O3
Molecular Weight268.19 g/mol
Exact Mass268.03
IUPAC Name2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H7F3O3/c14-8-5-4-7(6-10(8)16)19-11-3-1-2-9(15)12(11)13(17)18/h1-6H,(H,17,18)
InChIKeyDBZHSRLILNRGDK-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 79515988
2-(3,4-difluorophenoxy)-6-fluorobenzenecarbothioamide
CID 79519334
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
2-bromo-6-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114888683
1-[2-(3-bromo-4-fluorophenoxy)-6-fluorophenyl]ethanone
CID 83235123
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660
2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
CID 79511667
2-fluoro-6-phenoxybenzoyl chloride
CID 156864797
2-(4-bromo-2,5-dichlorophenoxy)-6-fluorobenzoic acid
CID 107661509
2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid
CID 107016444
2-fluoro-6-pyridin-2-yloxybenzoic acid
CID 104629750

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid?
The IUPAC name of 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid (CID 79510931) is 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid?
The canonical SMILES for 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid?
The InChIKey is DBZHSRLILNRGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O3/c14-8-5-4-7(6-10(8)16)19-11-3-1-2-9(15)12(11)13(17)18/h1-6H,(H,17,18).
What are the key properties of 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid?
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid has a molecular weight of 268.19 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-6-fluorobenzoic acid is sourced from PubChem (CID 79510931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).