5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid

C14H10F2O2 — CID 53225548

IUPAC5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
SMILESCc1ccc(-c2ccc(F)cc2C(=O)O)cc1F
InChIInChI=1S/C14H10F2O2/c1-8-2-3-9(6-13(8)16)11-5-4-10(15)7-12(11)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyYJZWAUYGZHQHJA-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.64
Rot. Bonds2

About 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid

5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid (PubChem CID 53225548) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
PubChem CID53225548
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
SMILESCc1ccc(-c2ccc(F)cc2C(=O)O)cc1F
InChIInChI=1S/C14H10F2O2/c1-8-2-3-9(6-13(8)16)11-5-4-10(15)7-12(11)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyYJZWAUYGZHQHJA-UHFFFAOYSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
4-fluoro-2-(3-fluoro-4-methylphenyl)benzamide
CID 69129277
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
CID 113324877
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813
2-amino-5-(3-fluoro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53222855
2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid
CID 39232563
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
2-(4-ethoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53227867

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid?
The IUPAC name of 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid (CID 53225548) is 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid is Cc1ccc(-c2ccc(F)cc2C(=O)O)cc1F.
What is the InChIKey of 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid?
The InChIKey is YJZWAUYGZHQHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-8-2-3-9(6-13(8)16)11-5-4-10(15)7-12(11)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid?
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid has a molecular weight of 248.23 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid is sourced from PubChem (CID 53225548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).