2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine

C6H9F3N2 — CID 174105112

IUPAC2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine
SMILESCC/N=C/C(=CN)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-11-4-5(3-10)6(7,8)9/h3-4H,2,10H2,1H3/b5-3?,11-4+
InChIKeyQKODCEQNVGCLLU-HVZKQTIUSA-N
MW166.15 g/mol
LogP1.48
Rot. Bonds2

About 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine

2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine (PubChem CID 174105112) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine.

Molecular Properties

Compound Name2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine
PubChem CID174105112
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine
SMILESCC/N=C/C(=CN)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-11-4-5(3-10)6(7,8)9/h3-4H,2,10H2,1H3/b5-3?,11-4+
InChIKeyQKODCEQNVGCLLU-HVZKQTIUSA-N
XLogP1.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine?
The IUPAC name of 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine (CID 174105112) is 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine.
What is the SMILES notation for 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine?
The canonical SMILES for 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine is CC/N=C/C(=CN)C(F)(F)F.
What is the InChIKey of 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine?
The InChIKey is QKODCEQNVGCLLU-HVZKQTIUSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-2-11-4-5(3-10)6(7,8)9/h3-4H,2,10H2,1H3/b5-3?,11-4+.
What are the key properties of 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine?
2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine has a molecular weight of 166.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyliminomethyl)-3,3,3-trifluoroprop-1-en-1-amine is sourced from PubChem (CID 174105112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).