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

C14H10F2O2 — CID 53211098

IUPAC2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
SMILESCc1ccc(F)c(-c2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C14H10F2O2/c1-8-2-5-12(15)11(6-8)9-3-4-10(14(17)18)13(16)7-9/h2-7H,1H3,(H,17,18)
InChIKeyHVZMZAJJKTZEDS-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.64
Rot. Bonds2

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

2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid (PubChem CID 53211098) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
PubChem CID53211098
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
SMILESCc1ccc(F)c(-c2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C14H10F2O2/c1-8-2-5-12(15)11(6-8)9-3-4-10(14(17)18)13(16)7-9/h2-7H,1H3,(H,17,18)
InChIKeyHVZMZAJJKTZEDS-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid?
The IUPAC name of 2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid (CID 53211098) is 2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid is Cc1ccc(F)c(-c2ccc(C(=O)O)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid?
The InChIKey is HVZMZAJJKTZEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-8-2-5-12(15)11(6-8)9-3-4-10(14(17)18)13(16)7-9/h2-7H,1H3,(H,17,18).
What are the key properties of 2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid?
2-fluoro-4-(2-fluoro-5-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 2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid is sourced from PubChem (CID 53211098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).