(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine

C6H9F3N2 — CID 168935654

IUPAC(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine
SMILESCC(/C=C\N)=N\CC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-5(2-3-10)11-4-6(7,8)9/h2-3H,4,10H2,1H3/b3-2-,11-5+
InChIKeyYGIRUHMIINXFEE-OKBMCRLZSA-N
MW166.15 g/mol
LogP1.48
Rot. Bonds2

About (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine

(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine (PubChem CID 168935654) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine
PubChem CID168935654
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine
SMILESCC(/C=C\N)=N\CC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-5(2-3-10)11-4-6(7,8)9/h2-3H,4,10H2,1H3/b3-2-,11-5+
InChIKeyYGIRUHMIINXFEE-OKBMCRLZSA-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 (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine?
The IUPAC name of (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine (CID 168935654) is (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine?
The canonical SMILES for (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine is CC(/C=C\N)=N\CC(F)(F)F.
What is the InChIKey of (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine?
The InChIKey is YGIRUHMIINXFEE-OKBMCRLZSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-5(2-3-10)11-4-6(7,8)9/h2-3H,4,10H2,1H3/b3-2-,11-5+.
What are the key properties of (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine?
(Z)-3-(2,2,2-trifluoroethylimino)but-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 (Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine is sourced from PubChem (CID 168935654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).