2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid

C8H5ClF2O3S — CID 81216936

IUPAC2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H5ClF2O3S/c9-5-1-3-6(4-2-5)15(14)8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKeySOVJLVPWCXOVAR-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.12
Rot. Bonds3

About 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid

2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid (PubChem CID 81216936) has the molecular formula C8H5ClF2O3S and a molecular weight of 254.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid
PubChem CID81216936
Molecular FormulaC8H5ClF2O3S
Molecular Weight254.64 g/mol
Exact Mass253.96
IUPAC Name2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H5ClF2O3S/c9-5-1-3-6(4-2-5)15(14)8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKeySOVJLVPWCXOVAR-UHFFFAOYSA-N
XLogP2.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid
CID 81217052
2-[(4-chlorophenyl)methylsulfinyl]-2,2-difluoroacetic acid
CID 114790846
1-chloro-4-(tribromomethylsulfinyl)benzene
CID 23535143
4-[(4-chlorophenyl)methylsulfinylmethyl]benzoic acid
CID 114790855
2-(4-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303324
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
2-(4-chlorophenyl)sulfinylbutanoic acid
CID 61304522
4-chloro(13C)benzoic acid
CID 66995527
(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one
CID 64637415
4-chlorobenzoic acid;fluoromethane
CID 174932068
1-(benzenesulfinylsulfinyl)-4-chlorobenzene
CID 57199201

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid?
The IUPAC name of 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid (CID 81216936) is 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid?
The canonical SMILES for 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid is O=C(O)C(F)(F)S(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid?
The InChIKey is SOVJLVPWCXOVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O3S/c9-5-1-3-6(4-2-5)15(14)8(10,11)7(12)13/h1-4H,(H,12,13).
What are the key properties of 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid?
2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid has a molecular weight of 254.64 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid is sourced from PubChem (CID 81216936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).