2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid

C14H8F2O4 — CID 53227346

IUPAC2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
SMILESO=C(O)c1cc(F)cc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C14H8F2O4/c15-9-5-7(4-8(6-9)13(17)18)10-2-1-3-11(16)12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyIXPDZVSESBCYPE-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.03
Rot. Bonds3

About 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid

2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid (PubChem CID 53227346) has the molecular formula C14H8F2O4 and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
PubChem CID53227346
Molecular FormulaC14H8F2O4
Molecular Weight278.21 g/mol
Exact Mass278.04
IUPAC Name2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
SMILESO=C(O)c1cc(F)cc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C14H8F2O4/c15-9-5-7(4-8(6-9)13(17)18)10-2-1-3-11(16)12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyIXPDZVSESBCYPE-UHFFFAOYSA-N
XLogP3.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyano-3-fluorophenyl)-5-fluorobenzoic acid
CID 103186678
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
2-(3-aminophenyl)-6-fluorobenzoic acid
CID 53224916
4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
CID 53227336
3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride
CID 134628961
3-amino-5-(2,3-difluorophenyl)benzoic acid
CID 53225919
2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
CID 53227842
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
3-amino-5-(2-fluorophenyl)benzoic acid
CID 53225005

Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid?
The IUPAC name of 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid (CID 53227346) is 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid?
The canonical SMILES for 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid is O=C(O)c1cc(F)cc(-c2cccc(F)c2C(=O)O)c1.
What is the InChIKey of 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid?
The InChIKey is IXPDZVSESBCYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2O4/c15-9-5-7(4-8(6-9)13(17)18)10-2-1-3-11(16)12(10)14(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid?
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid has a molecular weight of 278.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid is sourced from PubChem (CID 53227346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).