5-(2,5-dichlorophenyl)-2-fluorobenzoic acid

C13H7Cl2FO2 — CID 53211132

IUPAC5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(-c2cc(Cl)ccc2Cl)ccc1F
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-3-11(15)9(6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6H,(H,17,18)
InChIKeyZQJUCUMADHGTBO-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.50
Rot. Bonds2

About 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid

5-(2,5-dichlorophenyl)-2-fluorobenzoic acid (PubChem CID 53211132) has the molecular formula C13H7Cl2FO2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
PubChem CID53211132
Molecular FormulaC13H7Cl2FO2
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(-c2cc(Cl)ccc2Cl)ccc1F
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-3-11(15)9(6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6H,(H,17,18)
InChIKeyZQJUCUMADHGTBO-UHFFFAOYSA-N
XLogP4.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118813640
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
2-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid?
The IUPAC name of 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid (CID 53211132) is 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid?
The canonical SMILES for 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid is O=C(O)c1cc(-c2cc(Cl)ccc2Cl)ccc1F.
What is the InChIKey of 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid?
The InChIKey is ZQJUCUMADHGTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO2/c14-8-2-3-11(15)9(6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6H,(H,17,18).
What are the key properties of 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid?
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid has a molecular weight of 285.10 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 53211132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).