2,2-difluoroethanesulfonyl fluoride

C2H3F3O2S — CID 158385246

IUPAC2,2-difluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(F)F
InChIInChI=1S/C2H3F3O2S/c3-2(4)1-8(5,6)7/h2H,1H2
InChIKeyGWHDFYIOIDSJOW-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.55
Rot. Bonds2

About 2,2-difluoroethanesulfonyl fluoride

2,2-difluoroethanesulfonyl fluoride (PubChem CID 158385246) has the molecular formula C2H3F3O2S and a molecular weight of 148.10 g/mol. Its IUPAC name is 2,2-difluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name2,2-difluoroethanesulfonyl fluoride
PubChem CID158385246
Molecular FormulaC2H3F3O2S
Molecular Weight148.10 g/mol
Exact Mass147.98
IUPAC Name2,2-difluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(F)F
InChIInChI=1S/C2H3F3O2S/c3-2(4)1-8(5,6)7/h2H,1H2
InChIKeyGWHDFYIOIDSJOW-UHFFFAOYSA-N
XLogP0.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethanesulfonyl fluoride?
The IUPAC name of 2,2-difluoroethanesulfonyl fluoride (CID 158385246) is 2,2-difluoroethanesulfonyl fluoride.
What is the SMILES notation for 2,2-difluoroethanesulfonyl fluoride?
The canonical SMILES for 2,2-difluoroethanesulfonyl fluoride is O=S(=O)(F)CC(F)F.
What is the InChIKey of 2,2-difluoroethanesulfonyl fluoride?
The InChIKey is GWHDFYIOIDSJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O2S/c3-2(4)1-8(5,6)7/h2H,1H2.
What are the key properties of 2,2-difluoroethanesulfonyl fluoride?
2,2-difluoroethanesulfonyl fluoride has a molecular weight of 148.10 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanesulfonyl fluoride is sourced from PubChem (CID 158385246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).