4,4,4-trifluorobutane-1-sulfonyl chloride

C4H6ClF3O2S — CID 2761176

IUPAC4,4,4-trifluorobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC(F)(F)F
InChIInChI=1S/C4H6ClF3O2S/c5-11(9,10)3-1-2-4(6,7)8/h1-3H2
InChIKeyFCBIRUMSQYSMOL-UHFFFAOYSA-N
MW210.60 g/mol
LogP1.90
Rot. Bonds3

About 4,4,4-trifluorobutane-1-sulfonyl chloride

4,4,4-trifluorobutane-1-sulfonyl chloride (PubChem CID 2761176) has the molecular formula C4H6ClF3O2S and a molecular weight of 210.60 g/mol. Its IUPAC name is 4,4,4-trifluorobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name4,4,4-trifluorobutane-1-sulfonyl chloride
PubChem CID2761176
Molecular FormulaC4H6ClF3O2S
Molecular Weight210.60 g/mol
Exact Mass209.97
IUPAC Name4,4,4-trifluorobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC(F)(F)F
InChIInChI=1S/C4H6ClF3O2S/c5-11(9,10)3-1-2-4(6,7)8/h1-3H2
InChIKeyFCBIRUMSQYSMOL-UHFFFAOYSA-N
XLogP1.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2,2,2-Trifluoroethanesulfonyl chloride
CID 74242
Butanesulfonyl chloride, 4-fluoro-
CID 9739
1-Heptanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,7-undecafluoro-
CID 103439
FT-Pfsa; C4H5F5O3S
CID 85694534
1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
4:2 Fluorotelomer sulfonate
CID 20734542
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
2,2,3,3-Tetrafluoropropane-1-sulfonyl chloride
CID 21498346
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
2,2-Difluoroethanesulfonyl chloride
CID 50989405

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobutane-1-sulfonyl chloride?
The IUPAC name of 4,4,4-trifluorobutane-1-sulfonyl chloride (CID 2761176) is 4,4,4-trifluorobutane-1-sulfonyl chloride.
What is the SMILES notation for 4,4,4-trifluorobutane-1-sulfonyl chloride?
The canonical SMILES for 4,4,4-trifluorobutane-1-sulfonyl chloride is O=S(=O)(Cl)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobutane-1-sulfonyl chloride?
The InChIKey is FCBIRUMSQYSMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O2S/c5-11(9,10)3-1-2-4(6,7)8/h1-3H2.
What are the key properties of 4,4,4-trifluorobutane-1-sulfonyl chloride?
4,4,4-trifluorobutane-1-sulfonyl chloride has a molecular weight of 210.60 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobutane-1-sulfonyl chloride is sourced from PubChem (CID 2761176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).