1,1-difluoroethanesulfonyl fluoride

C2H3F3O2S — CID 20676892

IUPAC1,1-difluoroethanesulfonyl fluoride
SMILESCC(F)(F)S(=O)(=O)F
InChIInChI=1S/C2H3F3O2S/c1-2(3,4)8(5,6)7/h1H3
InChIKeyNSXSVDMPXCRCTA-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.90
Rot. Bonds1

About 1,1-difluoroethanesulfonyl fluoride

1,1-difluoroethanesulfonyl fluoride (PubChem CID 20676892) has the molecular formula C2H3F3O2S and a molecular weight of 148.10 g/mol. Its IUPAC name is 1,1-difluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1-difluoroethanesulfonyl fluoride
PubChem CID20676892
Molecular FormulaC2H3F3O2S
Molecular Weight148.10 g/mol
Exact Mass147.98
IUPAC Name1,1-difluoroethanesulfonyl fluoride
SMILESCC(F)(F)S(=O)(=O)F
InChIInChI=1S/C2H3F3O2S/c1-2(3,4)8(5,6)7/h1H3
InChIKeyNSXSVDMPXCRCTA-UHFFFAOYSA-N
XLogP0.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sodium 1,1-difluoroethane-1-sulfinate
CID 117065045
1,1-Difluoroethane-1-sulfonyl chloride
CID 126697136
Trifluoroethylsulfonylchloride
CID 19691189
1,1,2,2-Tetrafluoroethanesulfonic acid fluoride
CID 19695005
2,2-Difluoroethylenesulfonyl fluoride
CID 21344874
1,1-Difluoroethanesulfinate
CID 57002230
1,1,2-Trifluoroethanesulfinate
CID 19800889
1,1,2,2,3-Pentafluoropropane-1-sulfonyl fluoride
CID 20749593
1,1,2,2-Tetrafluoroethane-1-sulfonate
CID 21263465
1,1,2-Trifluoroethanesulfonate
CID 21999776
Lithium 1,1,2-trifluoroethanesulfonate
CID 23700454
1,1,2,3,3,3-Hexafluoropropane-1-sulfonyl fluoride
CID 54267344

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethanesulfonyl fluoride?
The IUPAC name of 1,1-difluoroethanesulfonyl fluoride (CID 20676892) is 1,1-difluoroethanesulfonyl fluoride.
What is the SMILES notation for 1,1-difluoroethanesulfonyl fluoride?
The canonical SMILES for 1,1-difluoroethanesulfonyl fluoride is CC(F)(F)S(=O)(=O)F.
What is the InChIKey of 1,1-difluoroethanesulfonyl fluoride?
The InChIKey is NSXSVDMPXCRCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O2S/c1-2(3,4)8(5,6)7/h1H3.
What are the key properties of 1,1-difluoroethanesulfonyl fluoride?
1,1-difluoroethanesulfonyl fluoride has a molecular weight of 148.10 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethanesulfonyl fluoride is sourced from PubChem (CID 20676892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).