3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride

C5H8ClF3O2S — CID 84725562

IUPAC3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C5H8ClF3O2S/c1-4(2,5(7,8)9)3-12(6,10)11/h3H2,1-2H3
InChIKeyBIWRUWNHWUBKEH-UHFFFAOYSA-N
MW224.63 g/mol
LogP2.14
Rot. Bonds2

About 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride

3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride (PubChem CID 84725562) has the molecular formula C5H8ClF3O2S and a molecular weight of 224.63 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride
PubChem CID84725562
Molecular FormulaC5H8ClF3O2S
Molecular Weight224.63 g/mol
Exact Mass223.99
IUPAC Name3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C5H8ClF3O2S/c1-4(2,5(7,8)9)3-12(6,10)11/h3H2,1-2H3
InChIKeyBIWRUWNHWUBKEH-UHFFFAOYSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.63
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethylpropane-1-sulfonyl chloride
CID 12574632
4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686
2,2-Difluoropropane-1-sulfonyl chloride
CID 84656710
4,4-Difluorobutane-1-sulfonyl chloride
CID 84664402
3,3-Difluorobutane-1-sulfonyl chloride
CID 84664403
3,3,3-Trifluoro-2-methylpropane-1-sulfonyl chloride
CID 84723207
2,2-Difluorobutane-1-sulfonyl chloride
CID 105446602
2-Fluoro-2-methylpropane-1-sulfonyl chloride
CID 126688674
5,5,5-Trifluoropentane-1-sulfonyl chloride
CID 56604710
3-Fluoro-2,2-dimethylpropane-1-sulfonyl chloride
CID 84661777
3,3-Difluoro-2,2-dimethylpropane-1-sulfonyl chloride
CID 84674725

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride (CID 84725562) is 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride is CC(C)(CS(=O)(=O)Cl)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride?
The InChIKey is BIWRUWNHWUBKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF3O2S/c1-4(2,5(7,8)9)3-12(6,10)11/h3H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride?
3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride has a molecular weight of 224.63 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride is sourced from PubChem (CID 84725562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).