trifluoro(methylsulfonyl)methane

C2H3F3O2S — CID 11215049

IUPACtrifluoro(methylsulfonyl)methane
SMILESCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C2H3F3O2S/c1-8(6,7)2(3,4)5/h1H3
InChIKeyARUIMKUOHIINGI-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.55
Rot. Bonds

About trifluoro(methylsulfonyl)methane

trifluoro(methylsulfonyl)methane (PubChem CID 11215049) has the molecular formula C2H3F3O2S and a molecular weight of 148.10 g/mol. Its IUPAC name is trifluoro(methylsulfonyl)methane.

Molecular Properties

Compound Nametrifluoro(methylsulfonyl)methane
PubChem CID11215049
Molecular FormulaC2H3F3O2S
Molecular Weight148.10 g/mol
Exact Mass147.98
IUPAC Nametrifluoro(methylsulfonyl)methane
SMILESCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C2H3F3O2S/c1-8(6,7)2(3,4)5/h1H3
InChIKeyARUIMKUOHIINGI-UHFFFAOYSA-N
XLogP0.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol
CID 91525496
methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970
iodomethane;trifluoromethanesulfonic acid
CID 87959782
methanethiol;trifluoromethanesulfonic acid
CID 171923949
dimethyl-bis(trifluoromethyl)-λ4-sulfane
CID 58763512
trifluoromethanesulfonic acid;trimethyl-(trimethyl-λ4-sulfanyl)sulfanyl-λ4-sulfane
CID 174796924
CID 160972181
CID 160972181
methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 157404640
tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane
CID 170029885
N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide
CID 87434293
trifluoro(methanidylsulfonyl)methane
CID 22078458
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674

Frequently Asked Questions

What is the IUPAC name of trifluoro(methylsulfonyl)methane?
The IUPAC name of trifluoro(methylsulfonyl)methane (CID 11215049) is trifluoro(methylsulfonyl)methane.
What is the SMILES notation for trifluoro(methylsulfonyl)methane?
The canonical SMILES for trifluoro(methylsulfonyl)methane is CS(=O)(=O)C(F)(F)F.
What is the InChIKey of trifluoro(methylsulfonyl)methane?
The InChIKey is ARUIMKUOHIINGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O2S/c1-8(6,7)2(3,4)5/h1H3.
What are the key properties of trifluoro(methylsulfonyl)methane?
trifluoro(methylsulfonyl)methane has a molecular weight of 148.10 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(methylsulfonyl)methane is sourced from PubChem (CID 11215049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).