(E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine

C11H15F6N — CID 167255730

IUPAC(E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine
SMILESCCC/C(CC)=C(C(=N\C)\C(F)(F)F)/C(F)(F)F
InChIInChI=1S/C11H15F6N/c1-4-6-7(5-2)8(10(12,13)14)9(18-3)11(15,16)17/h4-6H2,1-3H3/b8-7+,18-9-
InChIKeyFLWFNYCYHYBLFP-ZYJVETHYSA-N
MW275.24 g/mol
LogP4.69
Rot. Bonds4

About (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine

(E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine (PubChem CID 167255730) has the molecular formula C11H15F6N and a molecular weight of 275.24 g/mol. Its IUPAC name is (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine
PubChem CID167255730
Molecular FormulaC11H15F6N
Molecular Weight275.24 g/mol
Exact Mass275.11
IUPAC Name(E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine
SMILESCCC/C(CC)=C(C(=N\C)\C(F)(F)F)/C(F)(F)F
InChIInChI=1S/C11H15F6N/c1-4-6-7(5-2)8(10(12,13)14)9(18-3)11(15,16)17/h4-6H2,1-3H3/b8-7+,18-9-
InChIKeyFLWFNYCYHYBLFP-ZYJVETHYSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine?
The IUPAC name of (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine (CID 167255730) is (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine.
What is the SMILES notation for (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine?
The canonical SMILES for (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine is CCC/C(CC)=C(C(=N\C)\C(F)(F)F)/C(F)(F)F.
What is the InChIKey of (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine?
The InChIKey is FLWFNYCYHYBLFP-ZYJVETHYSA-N. The full InChI is InChI=1S/C11H15F6N/c1-4-6-7(5-2)8(10(12,13)14)9(18-3)11(15,16)17/h4-6H2,1-3H3/b8-7+,18-9-.
What are the key properties of (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine?
(E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine has a molecular weight of 275.24 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine is sourced from PubChem (CID 167255730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).