4-ethyl-5-fluorohepta-4,6-dien-3-imine

C9H14FN — CID 123295188

IUPAC4-ethyl-5-fluorohepta-4,6-dien-3-imine
SMILES[H]/N=C(\CC)C(CC)=C(F)C=C
InChIInChI=1S/C9H14FN/c1-4-7(8(10)5-2)9(11)6-3/h5,11H,2,4,6H2,1,3H3/b8-7?,11-9+
InChIKeyRBSUENPPEZLTPS-MVOABLDTSA-N
MW155.22 g/mol
LogP3.24
Rot. Bonds4

About 4-ethyl-5-fluorohepta-4,6-dien-3-imine

4-ethyl-5-fluorohepta-4,6-dien-3-imine (PubChem CID 123295188) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-ethyl-5-fluorohepta-4,6-dien-3-imine.

Molecular Properties

Compound Name4-ethyl-5-fluorohepta-4,6-dien-3-imine
PubChem CID123295188
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name4-ethyl-5-fluorohepta-4,6-dien-3-imine
SMILES[H]/N=C(\CC)C(CC)=C(F)C=C
InChIInChI=1S/C9H14FN/c1-4-7(8(10)5-2)9(11)6-3/h5,11H,2,4,6H2,1,3H3/b8-7?,11-9+
InChIKeyRBSUENPPEZLTPS-MVOABLDTSA-N
XLogP3.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluorohepta-4,6-dien-3-imine?
The IUPAC name of 4-ethyl-5-fluorohepta-4,6-dien-3-imine (CID 123295188) is 4-ethyl-5-fluorohepta-4,6-dien-3-imine.
What is the SMILES notation for 4-ethyl-5-fluorohepta-4,6-dien-3-imine?
The canonical SMILES for 4-ethyl-5-fluorohepta-4,6-dien-3-imine is [H]/N=C(\CC)C(CC)=C(F)C=C.
What is the InChIKey of 4-ethyl-5-fluorohepta-4,6-dien-3-imine?
The InChIKey is RBSUENPPEZLTPS-MVOABLDTSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-7(8(10)5-2)9(11)6-3/h5,11H,2,4,6H2,1,3H3/b8-7?,11-9+.
What are the key properties of 4-ethyl-5-fluorohepta-4,6-dien-3-imine?
4-ethyl-5-fluorohepta-4,6-dien-3-imine has a molecular weight of 155.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluorohepta-4,6-dien-3-imine is sourced from PubChem (CID 123295188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).