3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid

C14H10F2O3 — CID 53226516

IUPAC3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
SMILESCOc1ccc(F)c(-c2cc(F)cc(C(=O)O)c2)c1
InChIInChI=1S/C14H10F2O3/c1-19-11-2-3-13(16)12(7-11)8-4-9(14(17)18)6-10(15)5-8/h2-7H,1H3,(H,17,18)
InChIKeyQQXNQAFKEYXNCZ-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.34
Rot. Bonds3

About 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid

3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid (PubChem CID 53226516) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
PubChem CID53226516
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
SMILESCOc1ccc(F)c(-c2cc(F)cc(C(=O)O)c2)c1
InChIInChI=1S/C14H10F2O3/c1-19-11-2-3-13(16)12(7-11)8-4-9(14(17)18)6-10(15)5-8/h2-7H,1H3,(H,17,18)
InChIKeyQQXNQAFKEYXNCZ-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-(2-fluoro-5-methoxycarbonylphenyl)benzoic acid
CID 53227934
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
6-(2-fluoro-5-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223365
3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid
CID 53225661
3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
CID 53227230
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
2-(3-fluoro-5-methylphenyl)-4-methoxyphenol
CID 104707351
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53227480
4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
CID 53227336
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid?
The IUPAC name of 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid (CID 53226516) is 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid is COc1ccc(F)c(-c2cc(F)cc(C(=O)O)c2)c1.
What is the InChIKey of 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid?
The InChIKey is QQXNQAFKEYXNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-19-11-2-3-13(16)12(7-11)8-4-9(14(17)18)6-10(15)5-8/h2-7H,1H3,(H,17,18).
What are the key properties of 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid?
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid has a molecular weight of 264.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53226516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).