4-methylpent-3-en-2-amine;trifluoromethanesulfonamide

C7H15F3N2O2S — CID 87993169

IUPAC4-methylpent-3-en-2-amine;trifluoromethanesulfonamide
SMILESCC(C)=CC(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13N.CH2F3NO2S/c1-5(2)4-6(3)7;2-1(3,4)8(5,6)7/h4,6H,7H2,1-3H3;(H2,5,6,7)
InChIKeyLFFUMZISTVBRMX-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.09
Rot. Bonds1

About 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide

4-methylpent-3-en-2-amine;trifluoromethanesulfonamide (PubChem CID 87993169) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide.

Molecular Properties

Compound Name4-methylpent-3-en-2-amine;trifluoromethanesulfonamide
PubChem CID87993169
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC Name4-methylpent-3-en-2-amine;trifluoromethanesulfonamide
SMILESCC(C)=CC(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13N.CH2F3NO2S/c1-5(2)4-6(3)7;2-1(3,4)8(5,6)7/h4,6H,7H2,1-3H3;(H2,5,6,7)
InChIKeyLFFUMZISTVBRMX-UHFFFAOYSA-N
XLogP1.09
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide?
The IUPAC name of 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide (CID 87993169) is 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide.
What is the SMILES notation for 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide?
The canonical SMILES for 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide is CC(C)=CC(C)N.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide?
The InChIKey is LFFUMZISTVBRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.CH2F3NO2S/c1-5(2)4-6(3)7;2-1(3,4)8(5,6)7/h4,6H,7H2,1-3H3;(H2,5,6,7).
What are the key properties of 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide?
4-methylpent-3-en-2-amine;trifluoromethanesulfonamide has a molecular weight of 248.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-3-en-2-amine;trifluoromethanesulfonamide is sourced from PubChem (CID 87993169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).