2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid

C15H9ClF2O3 — CID 57078836

IUPAC2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C15H9ClF2O3/c16-10-6-7-11(12(8-10)15(17,18)14(20)21)13(19)9-4-2-1-3-5-9/h1-8H,(H,20,21)
InChIKeyXGHVQLZLKKWBFH-UHFFFAOYSA-N
MW310.68 g/mol
LogP3.75
Rot. Bonds4

About 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid

2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid (PubChem CID 57078836) has the molecular formula C15H9ClF2O3 and a molecular weight of 310.68 g/mol. Its IUPAC name is 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid
PubChem CID57078836
Molecular FormulaC15H9ClF2O3
Molecular Weight310.68 g/mol
Exact Mass310.02
IUPAC Name2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C15H9ClF2O3/c16-10-6-7-11(12(8-10)15(17,18)14(20)21)13(19)9-4-2-1-3-5-9/h1-8H,(H,20,21)
InChIKeyXGHVQLZLKKWBFH-UHFFFAOYSA-N
XLogP3.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.68
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826
2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid
CID 57020731
N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide
CID 154335816
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 18185372
3-(2-benzoyl-5-chlorophenyl)propanamide
CID 19903203

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid (CID 57078836) is 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid is O=C(c1ccccc1)c1ccc(Cl)cc1C(F)(F)C(=O)O.
What is the InChIKey of 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid?
The InChIKey is XGHVQLZLKKWBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2O3/c16-10-6-7-11(12(8-10)15(17,18)14(20)21)13(19)9-4-2-1-3-5-9/h1-8H,(H,20,21).
What are the key properties of 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid?
2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid has a molecular weight of 310.68 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 57078836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).