ethyl(trifluoromethylsulfonyl)azanide

C3H5F3NO2S- — CID 58427701

IUPACethyl(trifluoromethylsulfonyl)azanide
SMILESCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H5F3NO2S/c1-2-7-10(8,9)3(4,5)6/h2H2,1H3/q-1
InChIKeyNGWREYVCAXKIMP-UHFFFAOYSA-N
MW176.14 g/mol
LogP1.23
Rot. Bonds2

About ethyl(trifluoromethylsulfonyl)azanide

ethyl(trifluoromethylsulfonyl)azanide (PubChem CID 58427701) has the molecular formula C3H5F3NO2S- and a molecular weight of 176.14 g/mol. Its IUPAC name is ethyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Nameethyl(trifluoromethylsulfonyl)azanide
PubChem CID58427701
Molecular FormulaC3H5F3NO2S-
Molecular Weight176.14 g/mol
Exact Mass176.00
IUPAC Nameethyl(trifluoromethylsulfonyl)azanide
SMILESCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H5F3NO2S/c1-2-7-10(8,9)3(4,5)6/h2H2,1H3/q-1
InChIKeyNGWREYVCAXKIMP-UHFFFAOYSA-N
XLogP1.23
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of ethyl(trifluoromethylsulfonyl)azanide (CID 58427701) is ethyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for ethyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for ethyl(trifluoromethylsulfonyl)azanide is CC[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of ethyl(trifluoromethylsulfonyl)azanide?
The InChIKey is NGWREYVCAXKIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3NO2S/c1-2-7-10(8,9)3(4,5)6/h2H2,1H3/q-1.
What are the key properties of ethyl(trifluoromethylsulfonyl)azanide?
ethyl(trifluoromethylsulfonyl)azanide has a molecular weight of 176.14 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58427701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).