4-(2-fluorophenyl)phthalic acid

C14H9FO4 — CID 71119653

IUPAC4-(2-fluorophenyl)phthalic acid
SMILESO=C(O)c1ccc(-c2ccccc2F)cc1C(=O)O
InChIInChI=1S/C14H9FO4/c15-12-4-2-1-3-9(12)8-5-6-10(13(16)17)11(7-8)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyDQMNIXBPVCOYTL-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.89
Rot. Bonds3

About 4-(2-fluorophenyl)phthalic acid

4-(2-fluorophenyl)phthalic acid (PubChem CID 71119653) has the molecular formula C14H9FO4 and a molecular weight of 260.22 g/mol. Its IUPAC name is 4-(2-fluorophenyl)phthalic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)phthalic acid
PubChem CID71119653
Molecular FormulaC14H9FO4
Molecular Weight260.22 g/mol
Exact Mass260.05
IUPAC Name4-(2-fluorophenyl)phthalic acid
SMILESO=C(O)c1ccc(-c2ccccc2F)cc1C(=O)O
InChIInChI=1S/C14H9FO4/c15-12-4-2-1-3-9(12)8-5-6-10(13(16)17)11(7-8)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyDQMNIXBPVCOYTL-UHFFFAOYSA-N
XLogP2.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid
CID 46314414
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
4-[2-fluoro-4-(2-fluorophenyl)phenyl]-4-hydroxyiminobutanoic acid
CID 85069243
3-(2-fluorophenyl)naphthalene-2-carboxylic acid
CID 171127463
4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
CID 46313255

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)phthalic acid?
The IUPAC name of 4-(2-fluorophenyl)phthalic acid (CID 71119653) is 4-(2-fluorophenyl)phthalic acid.
What is the SMILES notation for 4-(2-fluorophenyl)phthalic acid?
The canonical SMILES for 4-(2-fluorophenyl)phthalic acid is O=C(O)c1ccc(-c2ccccc2F)cc1C(=O)O.
What is the InChIKey of 4-(2-fluorophenyl)phthalic acid?
The InChIKey is DQMNIXBPVCOYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO4/c15-12-4-2-1-3-9(12)8-5-6-10(13(16)17)11(7-8)14(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 4-(2-fluorophenyl)phthalic acid?
4-(2-fluorophenyl)phthalic acid has a molecular weight of 260.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)phthalic acid is sourced from PubChem (CID 71119653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).