4-(2,4-dichlorophenyl)-2-fluorobenzoic acid

C13H7Cl2FO2 — CID 53211711

IUPAC4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-4-9(11(15)6-8)7-1-3-10(13(17)18)12(16)5-7/h1-6H,(H,17,18)
InChIKeyNWNDSFBOTXHHAK-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.50
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid

4-(2,4-dichlorophenyl)-2-fluorobenzoic acid (PubChem CID 53211711) has the molecular formula C13H7Cl2FO2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
PubChem CID53211711
Molecular FormulaC13H7Cl2FO2
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-4-9(11(15)6-8)7-1-3-10(13(17)18)12(16)5-7/h1-6H,(H,17,18)
InChIKeyNWNDSFBOTXHHAK-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
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 143150419
2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
CID 53211098
5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid
CID 53223834
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid (CID 53211711) is 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid is O=C(O)c1ccc(-c2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid?
The InChIKey is NWNDSFBOTXHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO2/c14-8-2-4-9(11(15)6-8)7-1-3-10(13(17)18)12(16)5-7/h1-6H,(H,17,18).
What are the key properties of 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid?
4-(2,4-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 4-(2,4-dichlorophenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 53211711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).