1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide

C3H3F5NO4S2- — CID 59503109

IUPAC1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H3F5NO4S2/c1-2(4,5)14(10,11)9-15(12,13)3(6,7)8/h1H3/q-1
InChIKeyOQZUFMYQKRHAQE-UHFFFAOYSA-N
MW276.18 g/mol
LogP1.15
Rot. Bonds3

About 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide

1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 59503109) has the molecular formula C3H3F5NO4S2- and a molecular weight of 276.18 g/mol. Its IUPAC name is 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID59503109
Molecular FormulaC3H3F5NO4S2-
Molecular Weight276.18 g/mol
Exact Mass275.94
IUPAC Name1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H3F5NO4S2/c1-2(4,5)14(10,11)9-15(12,13)3(6,7)8/h1H3/q-1
InChIKeyOQZUFMYQKRHAQE-UHFFFAOYSA-N
XLogP1.15
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide (CID 59503109) is 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide is CC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is OQZUFMYQKRHAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5NO4S2/c1-2(4,5)14(10,11)9-15(12,13)3(6,7)8/h1H3/q-1.
What are the key properties of 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 276.18 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59503109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).