(E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine

C9H14F3NO — CID 90686552

IUPAC(E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine
SMILESCCC/C=C(\C=N\C)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-3-4-5-8(6-13-2)14-7-9(10,11)12/h5-6H,3-4,7H2,1-2H3/b8-5+,13-6+
InChIKeyGNHMWEULWQHXPS-NYNNJMMMSA-N
MW209.21 g/mol
LogP2.95
Rot. Bonds5

About (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine

(E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine (PubChem CID 90686552) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine
PubChem CID90686552
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine
SMILESCCC/C=C(\C=N\C)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-3-4-5-8(6-13-2)14-7-9(10,11)12/h5-6H,3-4,7H2,1-2H3/b8-5+,13-6+
InChIKeyGNHMWEULWQHXPS-NYNNJMMMSA-N
XLogP2.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine?
The IUPAC name of (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine (CID 90686552) is (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine.
What is the SMILES notation for (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine?
The canonical SMILES for (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine is CCC/C=C(\C=N\C)OCC(F)(F)F.
What is the InChIKey of (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine?
The InChIKey is GNHMWEULWQHXPS-NYNNJMMMSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-3-4-5-8(6-13-2)14-7-9(10,11)12/h5-6H,3-4,7H2,1-2H3/b8-5+,13-6+.
What are the key properties of (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine?
(E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine has a molecular weight of 209.21 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-(2,2,2-trifluoroethoxy)hex-2-en-1-imine is sourced from PubChem (CID 90686552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).