1,1,2-trifluoroethanesulfonyl fluoride

C2H2F4O2S — CID 21344874

IUPAC1,1,2-trifluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)CF
InChIInChI=1S/C2H2F4O2S/c3-1-2(4,5)9(6,7)8/h1H2
InChIKeyBWJFAOKDXSHWRC-UHFFFAOYSA-N
MW166.09 g/mol
LogP0.85
Rot. Bonds2

About 1,1,2-trifluoroethanesulfonyl fluoride

1,1,2-trifluoroethanesulfonyl fluoride (PubChem CID 21344874) has the molecular formula C2H2F4O2S and a molecular weight of 166.09 g/mol. Its IUPAC name is 1,1,2-trifluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2-trifluoroethanesulfonyl fluoride
PubChem CID21344874
Molecular FormulaC2H2F4O2S
Molecular Weight166.09 g/mol
Exact Mass165.97
IUPAC Name1,1,2-trifluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)CF
InChIInChI=1S/C2H2F4O2S/c3-1-2(4,5)9(6,7)8/h1H2
InChIKeyBWJFAOKDXSHWRC-UHFFFAOYSA-N
XLogP0.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.09
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 160613
CID 160613
CID 10176391
CID 10176391
CID 12929868
CID 12929868
CID 6451567
CID 6451567
CID 87303205
CID 87303205
CID 13721944
CID 13721944
CID 19691189
CID 19691189
CID 19695005
CID 19695005
CID 118682782
CID 118682782
CID 13397404
CID 13397404
CID 13661519
CID 13661519
CID 13721943
CID 13721943

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethanesulfonyl fluoride?
The IUPAC name of 1,1,2-trifluoroethanesulfonyl fluoride (CID 21344874) is 1,1,2-trifluoroethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2-trifluoroethanesulfonyl fluoride?
The canonical SMILES for 1,1,2-trifluoroethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoroethanesulfonyl fluoride?
The InChIKey is BWJFAOKDXSHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O2S/c3-1-2(4,5)9(6,7)8/h1H2.
What are the key properties of 1,1,2-trifluoroethanesulfonyl fluoride?
1,1,2-trifluoroethanesulfonyl fluoride has a molecular weight of 166.09 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethanesulfonyl fluoride is sourced from PubChem (CID 21344874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).