trifluoro(methanidylsulfonyl)methane

C2H2F3O2S- — CID 22078458

IUPACtrifluoro(methanidylsulfonyl)methane
SMILES[CH2-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C2H2F3O2S/c1-8(6,7)2(3,4)5/h1H2/q-1
InChIKeyMKOBNHWWZPEDQJ-UHFFFAOYSA-N
MW147.10 g/mol
LogP0.71
Rot. Bonds

About trifluoro(methanidylsulfonyl)methane

trifluoro(methanidylsulfonyl)methane (PubChem CID 22078458) has the molecular formula C2H2F3O2S- and a molecular weight of 147.10 g/mol. Its IUPAC name is trifluoro(methanidylsulfonyl)methane.

Molecular Properties

Compound Nametrifluoro(methanidylsulfonyl)methane
PubChem CID22078458
Molecular FormulaC2H2F3O2S-
Molecular Weight147.10 g/mol
Exact Mass146.97
IUPAC Nametrifluoro(methanidylsulfonyl)methane
SMILES[CH2-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C2H2F3O2S/c1-8(6,7)2(3,4)5/h1H2/q-1
InChIKeyMKOBNHWWZPEDQJ-UHFFFAOYSA-N
XLogP0.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

trifluoro(methylsulfonyl)methane
CID 11215049
platinum;trifluoromethanesulfonic acid
CID 87655055
trifluoromethylsulfonylazanide
CID 18339154
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
hafnium;trifluoromethanesulfonic acid;hydrate
CID 174756468
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
azane;bis(trifluoromethanesulfonamide)
CID 171927833
azane;trifluoromethanesulfonyl chloride
CID 87630754

Frequently Asked Questions

What is the IUPAC name of trifluoro(methanidylsulfonyl)methane?
The IUPAC name of trifluoro(methanidylsulfonyl)methane (CID 22078458) is trifluoro(methanidylsulfonyl)methane.
What is the SMILES notation for trifluoro(methanidylsulfonyl)methane?
The canonical SMILES for trifluoro(methanidylsulfonyl)methane is [CH2-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of trifluoro(methanidylsulfonyl)methane?
The InChIKey is MKOBNHWWZPEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3O2S/c1-8(6,7)2(3,4)5/h1H2/q-1.
What are the key properties of trifluoro(methanidylsulfonyl)methane?
trifluoro(methanidylsulfonyl)methane has a molecular weight of 147.10 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(methanidylsulfonyl)methane is sourced from PubChem (CID 22078458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).