propyl(trifluoromethylsulfonyl)azanide

C4H7F3NO2S- — CID 58427689

IUPACpropyl(trifluoromethylsulfonyl)azanide
SMILESCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3NO2S/c1-2-3-8-11(9,10)4(5,6)7/h2-3H2,1H3/q-1
InChIKeyOKNAWRYCJYVRQL-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.62
Rot. Bonds3

About propyl(trifluoromethylsulfonyl)azanide

propyl(trifluoromethylsulfonyl)azanide (PubChem CID 58427689) has the molecular formula C4H7F3NO2S- and a molecular weight of 190.17 g/mol. Its IUPAC name is propyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namepropyl(trifluoromethylsulfonyl)azanide
PubChem CID58427689
Molecular FormulaC4H7F3NO2S-
Molecular Weight190.17 g/mol
Exact Mass190.02
IUPAC Namepropyl(trifluoromethylsulfonyl)azanide
SMILESCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3NO2S/c1-2-3-8-11(9,10)4(5,6)7/h2-3H2,1H3/q-1
InChIKeyOKNAWRYCJYVRQL-UHFFFAOYSA-N
XLogP1.62
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of propyl(trifluoromethylsulfonyl)azanide (CID 58427689) is propyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for propyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for propyl(trifluoromethylsulfonyl)azanide is CCC[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of propyl(trifluoromethylsulfonyl)azanide?
The InChIKey is OKNAWRYCJYVRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3NO2S/c1-2-3-8-11(9,10)4(5,6)7/h2-3H2,1H3/q-1.
What are the key properties of propyl(trifluoromethylsulfonyl)azanide?
propyl(trifluoromethylsulfonyl)azanide has a molecular weight of 190.17 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58427689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).