2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide

C10H11F2NO3S — CID 172694312

IUPAC2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(F)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H11F2NO3S/c1-13(2)10(14)9(12)17(15,16)8-5-3-4-7(11)6-8/h3-6,9H,1-2H3
InChIKeyCCPWMNDDHKPXMW-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.98
Rot. Bonds3

About 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide

2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide (PubChem CID 172694312) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide
PubChem CID172694312
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(F)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H11F2NO3S/c1-13(2)10(14)9(12)17(15,16)8-5-3-4-7(11)6-8/h3-6,9H,1-2H3
InChIKeyCCPWMNDDHKPXMW-UHFFFAOYSA-N
XLogP0.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide?
The IUPAC name of 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide (CID 172694312) is 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide is CN(C)C(=O)C(F)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide?
The InChIKey is CCPWMNDDHKPXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-13(2)10(14)9(12)17(15,16)8-5-3-4-7(11)6-8/h3-6,9H,1-2H3.
What are the key properties of 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide?
2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide has a molecular weight of 263.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide is sourced from PubChem (CID 172694312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).