(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine

C8H12FN — CID 156851749

IUPAC(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
SMILESC=C/C=C(F)\C(CC)=N\C
InChIInChI=1S/C8H12FN/c1-4-6-7(9)8(5-2)10-3/h4,6H,1,5H2,2-3H3/b7-6+,10-8+
InChIKeyTVRGWXKKRRTECU-LQPGMRSMSA-N
MW141.19 g/mol
LogP2.51
Rot. Bonds3

About (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine

(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine (PubChem CID 156851749) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
PubChem CID156851749
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
SMILESC=C/C=C(F)\C(CC)=N\C
InChIInChI=1S/C8H12FN/c1-4-6-7(9)8(5-2)10-3/h4,6H,1,5H2,2-3H3/b7-6+,10-8+
InChIKeyTVRGWXKKRRTECU-LQPGMRSMSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.51
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 (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine?
The IUPAC name of (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine (CID 156851749) is (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine?
The canonical SMILES for (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine is C=C/C=C(F)\C(CC)=N\C.
What is the InChIKey of (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine?
The InChIKey is TVRGWXKKRRTECU-LQPGMRSMSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-6-7(9)8(5-2)10-3/h4,6H,1,5H2,2-3H3/b7-6+,10-8+.
What are the key properties of (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine?
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine has a molecular weight of 141.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine is sourced from PubChem (CID 156851749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).