butyl(trifluoromethylsulfonyl)azanide

C5H9F3NO2S- — CID 59566563

IUPACbutyl(trifluoromethylsulfonyl)azanide
SMILESCCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3NO2S/c1-2-3-4-9-12(10,11)5(6,7)8/h2-4H2,1H3/q-1
InChIKeyQTPYYARPOUINQH-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.01
Rot. Bonds4

About butyl(trifluoromethylsulfonyl)azanide

butyl(trifluoromethylsulfonyl)azanide (PubChem CID 59566563) has the molecular formula C5H9F3NO2S- and a molecular weight of 204.19 g/mol. Its IUPAC name is butyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namebutyl(trifluoromethylsulfonyl)azanide
PubChem CID59566563
Molecular FormulaC5H9F3NO2S-
Molecular Weight204.19 g/mol
Exact Mass204.03
IUPAC Namebutyl(trifluoromethylsulfonyl)azanide
SMILESCCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3NO2S/c1-2-3-4-9-12(10,11)5(6,7)8/h2-4H2,1H3/q-1
InChIKeyQTPYYARPOUINQH-UHFFFAOYSA-N
XLogP2.01
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of butyl(trifluoromethylsulfonyl)azanide (CID 59566563) is butyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for butyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for butyl(trifluoromethylsulfonyl)azanide is CCCC[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of butyl(trifluoromethylsulfonyl)azanide?
The InChIKey is QTPYYARPOUINQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3NO2S/c1-2-3-4-9-12(10,11)5(6,7)8/h2-4H2,1H3/q-1.
What are the key properties of butyl(trifluoromethylsulfonyl)azanide?
butyl(trifluoromethylsulfonyl)azanide has a molecular weight of 204.19 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59566563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).