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

C3H2F6LiNO2S — CID 101112203

IUPAClithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]CC(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C3H2F6NO2S.Li/c4-2(5,6)1-10-13(11,12)3(7,8)9;/h1H2;/q-1;+1
InChIKeyTUPPFVOOVFTOPZ-UHFFFAOYSA-N
MW237.05 g/mol
LogP-1.22
Rot. Bonds2

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

lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide (PubChem CID 101112203) has the molecular formula C3H2F6LiNO2S and a molecular weight of 237.05 g/mol. Its IUPAC name is lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namelithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide
PubChem CID101112203
Molecular FormulaC3H2F6LiNO2S
Molecular Weight237.05 g/mol
Exact Mass236.99
IUPAC Namelithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]CC(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C3H2F6NO2S.Li/c4-2(5,6)1-10-13(11,12)3(7,8)9;/h1H2;/q-1;+1
InChIKeyTUPPFVOOVFTOPZ-UHFFFAOYSA-N
XLogP-1.22
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide (CID 101112203) is lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]CC(F)(F)F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide?
The InChIKey is TUPPFVOOVFTOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6NO2S.Li/c4-2(5,6)1-10-13(11,12)3(7,8)9;/h1H2;/q-1;+1.
What are the key properties of lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide?
lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide has a molecular weight of 237.05 g/mol, XLogP of -1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 101112203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).