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

C4H6ClF3O2S — CID 84723207

IUPAC3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C4H6ClF3O2S/c1-3(4(6,7)8)2-11(5,9)10/h3H,2H2,1H3
InChIKeyKDRKYWBGDPTJQN-UHFFFAOYSA-N
MW210.60 g/mol
LogP1.75
Rot. Bonds2

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

3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride (PubChem CID 84723207) has the molecular formula C4H6ClF3O2S and a molecular weight of 210.60 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride
PubChem CID84723207
Molecular FormulaC4H6ClF3O2S
Molecular Weight210.60 g/mol
Exact Mass209.97
IUPAC Name3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C4H6ClF3O2S/c1-3(4(6,7)8)2-11(5,9)10/h3H,2H2,1H3
InChIKeyKDRKYWBGDPTJQN-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.60
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
(2,2-Difluorocyclopropyl)methanesulfonyl chloride
CID 55279478
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
2,2-Difluorobutane-1-sulfonyl chloride
CID 105446602
2-Fluoro-2-methylpropane-1-sulfonyl chloride
CID 126688674
3,3,4,4,4-Pentafluorobutane-1-sulfonyl chloride
CID 55279085
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-methylpropane-1-sulfonyl chloride?
The IUPAC name of 3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride (CID 84723207) is 3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride is CC(CS(=O)(=O)Cl)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride?
The InChIKey is KDRKYWBGDPTJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O2S/c1-3(4(6,7)8)2-11(5,9)10/h3H,2H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride?
3,3,3-trifluoro-2-methylpropane-1-sulfonyl chloride has a molecular weight of 210.60 g/mol, XLogP of 1.75, 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-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 84723207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).