(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine

C8H12FN — CID 118569105

IUPAC(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C(F)=C/C)CC
InChIInChI=1S/C8H12FN/c1-3-7(6-10)5-8(9)4-2/h4-6,10H,3H2,1-2H3/b7-5-,8-4+,10-6+
InChIKeySMOHXJUWOKODLE-NFCTXRIASA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds3

About (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine

(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine (PubChem CID 118569105) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
PubChem CID118569105
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C(F)=C/C)CC
InChIInChI=1S/C8H12FN/c1-3-7(6-10)5-8(9)4-2/h4-6,10H,3H2,1-2H3/b7-5-,8-4+,10-6+
InChIKeySMOHXJUWOKODLE-NFCTXRIASA-N
XLogP2.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
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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Related Compounds

(2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine
CID 89141297
(2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine
CID 89419008
(2E)-4-methyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 89528015
(2Z,4E)-6,6,6-trifluoro-5-methyl-2-propylhexa-2,4-dien-1-imine
CID 89697918
(E)-2-fluoro-5-methylhept-4-en-1-imine
CID 89953267
(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
CID 90273683
CID 90433899
CID 90433899
7,7,7-Trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 91534333
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(2Z,4E)-4-fluoro-2-methylhexa-2,4-dien-1-imine
CID 117805607
(2E)-5-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 122494579
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine (CID 118569105) is (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine is [H]/N=C/C(=C\C(F)=C/C)CC.
What is the InChIKey of (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine?
The InChIKey is SMOHXJUWOKODLE-NFCTXRIASA-N. The full InChI is InChI=1S/C8H12FN/c1-3-7(6-10)5-8(9)4-2/h4-6,10H,3H2,1-2H3/b7-5-,8-4+,10-6+.
What are the key properties of (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine?
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine is sourced from PubChem (CID 118569105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).