(4E)-5-fluorohepta-4,6-dien-3-imine

C7H10FN — CID 123678972

IUPAC(4E)-5-fluorohepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C(/F)C=C)CC
InChIInChI=1S/C7H10FN/c1-3-6(8)5-7(9)4-2/h3,5,9H,1,4H2,2H3/b6-5+,9-7+
InChIKeySXERXZMSSOFZHH-SBIWHPGTSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds3

About (4E)-5-fluorohepta-4,6-dien-3-imine

(4E)-5-fluorohepta-4,6-dien-3-imine (PubChem CID 123678972) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (4E)-5-fluorohepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E)-5-fluorohepta-4,6-dien-3-imine
PubChem CID123678972
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(4E)-5-fluorohepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C(/F)C=C)CC
InChIInChI=1S/C7H10FN/c1-3-6(8)5-7(9)4-2/h3,5,9H,1,4H2,2H3/b6-5+,9-7+
InChIKeySXERXZMSSOFZHH-SBIWHPGTSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
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 (4E)-5-fluorohepta-4,6-dien-3-imine?
The IUPAC name of (4E)-5-fluorohepta-4,6-dien-3-imine (CID 123678972) is (4E)-5-fluorohepta-4,6-dien-3-imine.
What is the SMILES notation for (4E)-5-fluorohepta-4,6-dien-3-imine?
The canonical SMILES for (4E)-5-fluorohepta-4,6-dien-3-imine is [H]/N=C(/C=C(/F)C=C)CC.
What is the InChIKey of (4E)-5-fluorohepta-4,6-dien-3-imine?
The InChIKey is SXERXZMSSOFZHH-SBIWHPGTSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-6(8)5-7(9)4-2/h3,5,9H,1,4H2,2H3/b6-5+,9-7+.
What are the key properties of (4E)-5-fluorohepta-4,6-dien-3-imine?
(4E)-5-fluorohepta-4,6-dien-3-imine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-fluorohepta-4,6-dien-3-imine is sourced from PubChem (CID 123678972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).