2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide

C3H2F6NO4S2- — CID 59015592

IUPAC2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)(CC(F)(F)F)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H2F6NO4S2/c4-2(5,6)1-15(11,12)10-16(13,14)3(7,8)9/h1H2/q-1
InChIKeyXIJUZSXIVWTMRA-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.10
Rot. Bonds3

About 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide

2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 59015592) has the molecular formula C3H2F6NO4S2- and a molecular weight of 294.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID59015592
Molecular FormulaC3H2F6NO4S2-
Molecular Weight294.17 g/mol
Exact Mass293.93
IUPAC Name2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)(CC(F)(F)F)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H2F6NO4S2/c4-2(5,6)1-15(11,12)10-16(13,14)3(7,8)9/h1H2/q-1
InChIKeyXIJUZSXIVWTMRA-UHFFFAOYSA-N
XLogP1.10
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,2,2-Tetrafluoroethane-1-sulfonamide
CID 87668762
1,2,2,3-Tetrafluoropropane-1,3-disulfonyl difluoride
CID 13223786
1,1,1,3,3,3-Hexafluoropropane-2-sulfonamide
CID 165867610
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705435
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690
2,2,2-Trifluoroethane-1,1-disulfonamide
CID 22967973
4,4,5,5-Tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 23593419
1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
CID 53348267
4,4-Difluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
CID 57669244
4,4,5,5,6-Pentafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58220487

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide (CID 59015592) is 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide is O=S(=O)(CC(F)(F)F)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is XIJUZSXIVWTMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6NO4S2/c4-2(5,6)1-15(11,12)10-16(13,14)3(7,8)9/h1H2/q-1.
What are the key properties of 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 294.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59015592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).