2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid

C8H4Cl2F2O3S — CID 81217052

IUPAC2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)S(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H4Cl2F2O3S/c9-5-2-1-4(3-6(5)10)16(15)8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKeyUYPXSKQXUAQHEO-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.78
Rot. Bonds3

About 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid

2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid (PubChem CID 81217052) has the molecular formula C8H4Cl2F2O3S and a molecular weight of 289.09 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid
PubChem CID81217052
Molecular FormulaC8H4Cl2F2O3S
Molecular Weight289.09 g/mol
Exact Mass287.92
IUPAC Name2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)S(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H4Cl2F2O3S/c9-5-2-1-4(3-6(5)10)16(15)8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKeyUYPXSKQXUAQHEO-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid (CID 81217052) is 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid is O=C(O)C(F)(F)S(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid?
The InChIKey is UYPXSKQXUAQHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2O3S/c9-5-2-1-4(3-6(5)10)16(15)8(11,12)7(13)14/h1-3H,(H,13,14).
What are the key properties of 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid?
2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid has a molecular weight of 289.09 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid is sourced from PubChem (CID 81217052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).