(2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide

C5H7F3NO4S- — CID 58427696

IUPAC(2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide
SMILESCCOC(=O)C[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3NO4S/c1-2-13-4(10)3-9-14(11,12)5(6,7)8/h2-3H2,1H3/q-1
InChIKeyAUMVXEZITBJAOX-UHFFFAOYSA-N
MW234.17 g/mol
LogP0.77
Rot. Bonds4

About (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide

(2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide (PubChem CID 58427696) has the molecular formula C5H7F3NO4S- and a molecular weight of 234.17 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide
PubChem CID58427696
Molecular FormulaC5H7F3NO4S-
Molecular Weight234.17 g/mol
Exact Mass234.01
IUPAC Name(2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide
SMILESCCOC(=O)C[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3NO4S/c1-2-13-4(10)3-9-14(11,12)5(6,7)8/h2-3H2,1H3/q-1
InChIKeyAUMVXEZITBJAOX-UHFFFAOYSA-N
XLogP0.77
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide?
The IUPAC name of (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide (CID 58427696) is (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide is CCOC(=O)C[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide?
The InChIKey is AUMVXEZITBJAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3NO4S/c1-2-13-4(10)3-9-14(11,12)5(6,7)8/h2-3H2,1H3/q-1.
What are the key properties of (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide?
(2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide has a molecular weight of 234.17 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58427696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).