2-methylpropyl(trifluoromethylsulfonyl)azanide

C5H9F3NO2S- — CID 58427694

IUPAC2-methylpropyl(trifluoromethylsulfonyl)azanide
SMILESCC(C)C[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3NO2S/c1-4(2)3-9-12(10,11)5(6,7)8/h4H,3H2,1-2H3/q-1
InChIKeyMPOOXYOCINSXAO-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.87
Rot. Bonds3

About 2-methylpropyl(trifluoromethylsulfonyl)azanide

2-methylpropyl(trifluoromethylsulfonyl)azanide (PubChem CID 58427694) has the molecular formula C5H9F3NO2S- and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-methylpropyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name2-methylpropyl(trifluoromethylsulfonyl)azanide
PubChem CID58427694
Molecular FormulaC5H9F3NO2S-
Molecular Weight204.19 g/mol
Exact Mass204.03
IUPAC Name2-methylpropyl(trifluoromethylsulfonyl)azanide
SMILESCC(C)C[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3NO2S/c1-4(2)3-9-12(10,11)5(6,7)8/h4H,3H2,1-2H3/q-1
InChIKeyMPOOXYOCINSXAO-UHFFFAOYSA-N
XLogP1.87
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 2-methylpropyl(trifluoromethylsulfonyl)azanide (CID 58427694) is 2-methylpropyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 2-methylpropyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 2-methylpropyl(trifluoromethylsulfonyl)azanide is CC(C)C[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methylpropyl(trifluoromethylsulfonyl)azanide?
The InChIKey is MPOOXYOCINSXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3NO2S/c1-4(2)3-9-12(10,11)5(6,7)8/h4H,3H2,1-2H3/q-1.
What are the key properties of 2-methylpropyl(trifluoromethylsulfonyl)azanide?
2-methylpropyl(trifluoromethylsulfonyl)azanide has a molecular weight of 204.19 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58427694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).