1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide

C3H5F3NO4S2- — CID 59414736

IUPAC1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide
SMILESO=S(=O)(CF)[N-]S(=O)(=O)C(F)CF
InChIInChI=1S/C3H5F3NO4S2/c4-1-3(6)13(10,11)7-12(8,9)2-5/h3H,1-2H2/q-1
InChIKeyKQACXKINMJSLGV-UHFFFAOYSA-N
MW240.20 g/mol
LogP0.21
Rot. Bonds5

About 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide

1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide (PubChem CID 59414736) has the molecular formula C3H5F3NO4S2- and a molecular weight of 240.20 g/mol. Its IUPAC name is 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide
PubChem CID59414736
Molecular FormulaC3H5F3NO4S2-
Molecular Weight240.20 g/mol
Exact Mass239.96
IUPAC Name1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide
SMILESO=S(=O)(CF)[N-]S(=O)(=O)C(F)CF
InChIInChI=1S/C3H5F3NO4S2/c4-1-3(6)13(10,11)7-12(8,9)2-5/h3H,1-2H2/q-1
InChIKeyKQACXKINMJSLGV-UHFFFAOYSA-N
XLogP0.21
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide?
The IUPAC name of 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide (CID 59414736) is 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide.
What is the SMILES notation for 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide?
The canonical SMILES for 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide is O=S(=O)(CF)[N-]S(=O)(=O)C(F)CF.
What is the InChIKey of 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide?
The InChIKey is KQACXKINMJSLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3NO4S2/c4-1-3(6)13(10,11)7-12(8,9)2-5/h3H,1-2H2/q-1.
What are the key properties of 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide?
1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide has a molecular weight of 240.20 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroethylsulfonyl(fluoromethylsulfonyl)azanide is sourced from PubChem (CID 59414736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).