3,3,3-trifluoropropane-1-sulfonyl chloride

C3H4ClF3O2S — CID 2761177

IUPAC3,3,3-trifluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCC(F)(F)F
InChIInChI=1S/C3H4ClF3O2S/c4-10(8,9)2-1-3(5,6)7/h1-2H2
InChIKeyOXKHPRFGCFJUSK-UHFFFAOYSA-N
MW196.58 g/mol
LogP1.51
Rot. Bonds2

About 3,3,3-trifluoropropane-1-sulfonyl chloride

3,3,3-trifluoropropane-1-sulfonyl chloride (PubChem CID 2761177) has the molecular formula C3H4ClF3O2S and a molecular weight of 196.58 g/mol. Its IUPAC name is 3,3,3-trifluoropropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3,3-trifluoropropane-1-sulfonyl chloride
PubChem CID2761177
Molecular FormulaC3H4ClF3O2S
Molecular Weight196.58 g/mol
Exact Mass195.96
IUPAC Name3,3,3-trifluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCC(F)(F)F
InChIInChI=1S/C3H4ClF3O2S/c4-10(8,9)2-1-3(5,6)7/h1-2H2
InChIKeyOXKHPRFGCFJUSK-UHFFFAOYSA-N
XLogP1.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.58
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoroethanesulfonyl chloride
CID 74242
Poly(difluoromethylene), alpha-fluoro-omega-(2-sulfoethyl)-
CID 157411
Propanesulfonyl fluoride, 3-fluoro-
CID 68033
Ethanesulfonyl chloride, 2-fluoro-
CID 69806
1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
3,3,3-Trifluoropropanesulfinic acid sodium salt
CID 50998692
3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
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 3,3,3-trifluoropropane-1-sulfonyl chloride?
The IUPAC name of 3,3,3-trifluoropropane-1-sulfonyl chloride (CID 2761177) is 3,3,3-trifluoropropane-1-sulfonyl chloride.
What is the SMILES notation for 3,3,3-trifluoropropane-1-sulfonyl chloride?
The canonical SMILES for 3,3,3-trifluoropropane-1-sulfonyl chloride is O=S(=O)(Cl)CCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropane-1-sulfonyl chloride?
The InChIKey is OXKHPRFGCFJUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClF3O2S/c4-10(8,9)2-1-3(5,6)7/h1-2H2.
What are the key properties of 3,3,3-trifluoropropane-1-sulfonyl chloride?
3,3,3-trifluoropropane-1-sulfonyl chloride has a molecular weight of 196.58 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropane-1-sulfonyl chloride is sourced from PubChem (CID 2761177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).