2,2,2-trifluoroethanesulfonyl fluoride

C2H2F4O2S — CID 12929868

IUPAC2,2,2-trifluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(F)(F)F
InChIInChI=1S/C2H2F4O2S/c3-2(4,5)1-9(6,7)8/h1H2
InChIKeyNXCZIGSWSGUJGX-UHFFFAOYSA-N
MW166.09 g/mol
LogP0.85
Rot. Bonds1

About 2,2,2-trifluoroethanesulfonyl fluoride

2,2,2-trifluoroethanesulfonyl fluoride (PubChem CID 12929868) has the molecular formula C2H2F4O2S and a molecular weight of 166.09 g/mol. Its IUPAC name is 2,2,2-trifluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name2,2,2-trifluoroethanesulfonyl fluoride
PubChem CID12929868
Molecular FormulaC2H2F4O2S
Molecular Weight166.09 g/mol
Exact Mass165.97
IUPAC Name2,2,2-trifluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(F)(F)F
InChIInChI=1S/C2H2F4O2S/c3-2(4,5)1-9(6,7)8/h1H2
InChIKeyNXCZIGSWSGUJGX-UHFFFAOYSA-N
XLogP0.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze 2,2,2-trifluoroethanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoroethanesulfonyl iodide
CID 147408811
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454
2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
2,2-difluoro-3-fluorosulfonylpropanoate
CID 152752394
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane
CID 87154616
ethane-1,2-diol;bis(2,2,2-trifluoroethanesulfonic acid)
CID 87292403
methanidyl(2,2,2-trifluoroethylsulfonyl)azanium
CID 59280662
dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane
CID 59787593
2,2,2-trifluoro-N-hydroxy-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 162606518
methyl(2,2,2-trifluoroethylsulfonyl)azanide
CID 59280663
silyl 2,2,2-trifluoroethanesulfonate
CID 150644822
2-(2,2,2-trifluoroethylsulfonyl)ethanamine
CID 58685127

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethanesulfonyl fluoride?
The IUPAC name of 2,2,2-trifluoroethanesulfonyl fluoride (CID 12929868) is 2,2,2-trifluoroethanesulfonyl fluoride.
What is the SMILES notation for 2,2,2-trifluoroethanesulfonyl fluoride?
The canonical SMILES for 2,2,2-trifluoroethanesulfonyl fluoride is O=S(=O)(F)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethanesulfonyl fluoride?
The InChIKey is NXCZIGSWSGUJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O2S/c3-2(4,5)1-9(6,7)8/h1H2.
What are the key properties of 2,2,2-trifluoroethanesulfonyl fluoride?
2,2,2-trifluoroethanesulfonyl fluoride has a molecular weight of 166.09 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethanesulfonyl fluoride is sourced from PubChem (CID 12929868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).