4-(trifluoromethylimino)pent-2-en-2-amine

C6H9F3N2 — CID 154554823

IUPAC4-(trifluoromethylimino)pent-2-en-2-amine
SMILESCC(N)=CC(C)=NC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(10)3-5(2)11-6(7,8)9/h3H,10H2,1-2H3
InChIKeyNQOXQANCDXFORF-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.83
Rot. Bonds1

About 4-(trifluoromethylimino)pent-2-en-2-amine

4-(trifluoromethylimino)pent-2-en-2-amine (PubChem CID 154554823) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 4-(trifluoromethylimino)pent-2-en-2-amine.

Molecular Properties

Compound Name4-(trifluoromethylimino)pent-2-en-2-amine
PubChem CID154554823
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name4-(trifluoromethylimino)pent-2-en-2-amine
SMILESCC(N)=CC(C)=NC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(10)3-5(2)11-6(7,8)9/h3H,10H2,1-2H3
InChIKeyNQOXQANCDXFORF-UHFFFAOYSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylimino)pent-2-en-2-amine?
The IUPAC name of 4-(trifluoromethylimino)pent-2-en-2-amine (CID 154554823) is 4-(trifluoromethylimino)pent-2-en-2-amine.
What is the SMILES notation for 4-(trifluoromethylimino)pent-2-en-2-amine?
The canonical SMILES for 4-(trifluoromethylimino)pent-2-en-2-amine is CC(N)=CC(C)=NC(F)(F)F.
What is the InChIKey of 4-(trifluoromethylimino)pent-2-en-2-amine?
The InChIKey is NQOXQANCDXFORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4(10)3-5(2)11-6(7,8)9/h3H,10H2,1-2H3.
What are the key properties of 4-(trifluoromethylimino)pent-2-en-2-amine?
4-(trifluoromethylimino)pent-2-en-2-amine has a molecular weight of 166.15 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylimino)pent-2-en-2-amine is sourced from PubChem (CID 154554823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).