2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide

C3H2F6NO2S- — CID 58427683

IUPAC2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6NO2S/c4-2(5,6)1-10-13(11,12)3(7,8)9/h1H2/q-1
InChIKeyYUYKAQMSQXJYQJ-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.77
Rot. Bonds2

About 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide

2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide (PubChem CID 58427683) has the molecular formula C3H2F6NO2S- and a molecular weight of 230.11 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide
PubChem CID58427683
Molecular FormulaC3H2F6NO2S-
Molecular Weight230.11 g/mol
Exact Mass229.97
IUPAC Name2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6NO2S/c4-2(5,6)1-10-13(11,12)3(7,8)9/h1H2/q-1
InChIKeyYUYKAQMSQXJYQJ-UHFFFAOYSA-N
XLogP1.77
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide (CID 58427683) is 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide?
The InChIKey is YUYKAQMSQXJYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6NO2S/c4-2(5,6)1-10-13(11,12)3(7,8)9/h1H2/q-1.
What are the key properties of 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide?
2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide has a molecular weight of 230.11 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58427683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).