1,1,1-trifluorobutane-2-sulfonyl chloride

C4H6ClF3O2S — CID 54234646

IUPAC1,1,1-trifluorobutane-2-sulfonyl chloride
SMILESCCC(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C4H6ClF3O2S/c1-2-3(4(6,7)8)11(5,9)10/h3H,2H2,1H3
InChIKeyQLROFIJOUAIBIU-UHFFFAOYSA-N
MW210.60 g/mol
LogP1.90
Rot. Bonds2

About 1,1,1-trifluorobutane-2-sulfonyl chloride

1,1,1-trifluorobutane-2-sulfonyl chloride (PubChem CID 54234646) has the molecular formula C4H6ClF3O2S and a molecular weight of 210.60 g/mol. Its IUPAC name is 1,1,1-trifluorobutane-2-sulfonyl chloride.

Molecular Properties

Compound Name1,1,1-trifluorobutane-2-sulfonyl chloride
PubChem CID54234646
Molecular FormulaC4H6ClF3O2S
Molecular Weight210.60 g/mol
Exact Mass209.97
IUPAC Name1,1,1-trifluorobutane-2-sulfonyl chloride
SMILESCCC(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C4H6ClF3O2S/c1-2-3(4(6,7)8)11(5,9)10/h3H,2H2,1H3
InChIKeyQLROFIJOUAIBIU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
3,3-Difluorocyclopentane-1-sulfonyl chloride
CID 53417174
2-Fluoropropane-1-sulfonyl chloride
CID 55263295
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorobutane-2-sulfonyl chloride?
The IUPAC name of 1,1,1-trifluorobutane-2-sulfonyl chloride (CID 54234646) is 1,1,1-trifluorobutane-2-sulfonyl chloride.
What is the SMILES notation for 1,1,1-trifluorobutane-2-sulfonyl chloride?
The canonical SMILES for 1,1,1-trifluorobutane-2-sulfonyl chloride is CCC(C(F)(F)F)S(=O)(=O)Cl.
What is the InChIKey of 1,1,1-trifluorobutane-2-sulfonyl chloride?
The InChIKey is QLROFIJOUAIBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O2S/c1-2-3(4(6,7)8)11(5,9)10/h3H,2H2,1H3.
What are the key properties of 1,1,1-trifluorobutane-2-sulfonyl chloride?
1,1,1-trifluorobutane-2-sulfonyl chloride has a molecular weight of 210.60 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorobutane-2-sulfonyl chloride is sourced from PubChem (CID 54234646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).