pentyl(trifluoromethylsulfonyl)azanide

C6H11F3NO2S- — CID 58427681

IUPACpentyl(trifluoromethylsulfonyl)azanide
SMILESCCCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3NO2S/c1-2-3-4-5-10-13(11,12)6(7,8)9/h2-5H2,1H3/q-1
InChIKeyKCQMULRFDYVUAD-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.40
Rot. Bonds5

About pentyl(trifluoromethylsulfonyl)azanide

pentyl(trifluoromethylsulfonyl)azanide (PubChem CID 58427681) has the molecular formula C6H11F3NO2S- and a molecular weight of 218.22 g/mol. Its IUPAC name is pentyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namepentyl(trifluoromethylsulfonyl)azanide
PubChem CID58427681
Molecular FormulaC6H11F3NO2S-
Molecular Weight218.22 g/mol
Exact Mass218.05
IUPAC Namepentyl(trifluoromethylsulfonyl)azanide
SMILESCCCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3NO2S/c1-2-3-4-5-10-13(11,12)6(7,8)9/h2-5H2,1H3/q-1
InChIKeyKCQMULRFDYVUAD-UHFFFAOYSA-N
XLogP2.40
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.40
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 pentyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of pentyl(trifluoromethylsulfonyl)azanide (CID 58427681) is pentyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for pentyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for pentyl(trifluoromethylsulfonyl)azanide is CCCCC[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of pentyl(trifluoromethylsulfonyl)azanide?
The InChIKey is KCQMULRFDYVUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3NO2S/c1-2-3-4-5-10-13(11,12)6(7,8)9/h2-5H2,1H3/q-1.
What are the key properties of pentyl(trifluoromethylsulfonyl)azanide?
pentyl(trifluoromethylsulfonyl)azanide has a molecular weight of 218.22 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58427681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).