(E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine

C11H14F3N — CID 163732423

IUPAC(E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine
SMILESC=C/C(=C\N=C(/C=C/C)C(F)(F)F)CC
InChIInChI=1S/C11H14F3N/c1-4-7-10(11(12,13)14)15-8-9(5-2)6-3/h4-5,7-8H,2,6H2,1,3H3/b7-4+,9-8+,15-10+
InChIKeyLASXSNZRZMAWAB-GQBKHQTNSA-N
MW217.23 g/mol
LogP4.05
Rot. Bonds4

About (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine

(E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine (PubChem CID 163732423) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine
PubChem CID163732423
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine
SMILESC=C/C(=C\N=C(/C=C/C)C(F)(F)F)CC
InChIInChI=1S/C11H14F3N/c1-4-7-10(11(12,13)14)15-8-9(5-2)6-3/h4-5,7-8H,2,6H2,1,3H3/b7-4+,9-8+,15-10+
InChIKeyLASXSNZRZMAWAB-GQBKHQTNSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine?
The IUPAC name of (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine (CID 163732423) is (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine.
What is the SMILES notation for (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine?
The canonical SMILES for (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine is C=C/C(=C\N=C(/C=C/C)C(F)(F)F)CC.
What is the InChIKey of (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine?
The InChIKey is LASXSNZRZMAWAB-GQBKHQTNSA-N. The full InChI is InChI=1S/C11H14F3N/c1-4-7-10(11(12,13)14)15-8-9(5-2)6-3/h4-5,7-8H,2,6H2,1,3H3/b7-4+,9-8+,15-10+.
What are the key properties of (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine?
(E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine has a molecular weight of 217.23 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine is sourced from PubChem (CID 163732423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).