3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide

C7H13F3NO3S- — CID 171736670

IUPAC3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide
SMILESCC(C)OCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3NO3S/c1-6(2)14-5-3-4-11-15(12,13)7(8,9)10/h6H,3-5H2,1-2H3/q-1
InChIKeyLSVWGPJKQACBDG-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.02
Rot. Bonds6

About 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide

3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide (PubChem CID 171736670) has the molecular formula C7H13F3NO3S- and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide
PubChem CID171736670
Molecular FormulaC7H13F3NO3S-
Molecular Weight248.25 g/mol
Exact Mass248.06
IUPAC Name3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide
SMILESCC(C)OCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3NO3S/c1-6(2)14-5-3-4-11-15(12,13)7(8,9)10/h6H,3-5H2,1-2H3/q-1
InChIKeyLSVWGPJKQACBDG-UHFFFAOYSA-N
XLogP2.02
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide (CID 171736670) is 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide is CC(C)OCCC[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide?
The InChIKey is LSVWGPJKQACBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3NO3S/c1-6(2)14-5-3-4-11-15(12,13)7(8,9)10/h6H,3-5H2,1-2H3/q-1.
What are the key properties of 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide?
3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide has a molecular weight of 248.25 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypropyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 171736670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).