(E)-5-fluorohept-5-ene-3,4-diimine

C7H11FN2 — CID 123606437

IUPAC(E)-5-fluorohept-5-ene-3,4-diimine
SMILES[H]/N=C(C(\F)=C/C)/C(CC)=N/[H]
InChIInChI=1S/C7H11FN2/c1-3-5(8)7(10)6(9)4-2/h3,9-10H,4H2,1-2H3/b5-3+,9-6+,10-7+
InChIKeyHUBKKWRQYRNGBU-XOKHZQGNSA-N
MW142.18 g/mol
LogP2.31
Rot. Bonds3

About (E)-5-fluorohept-5-ene-3,4-diimine

(E)-5-fluorohept-5-ene-3,4-diimine (PubChem CID 123606437) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (E)-5-fluorohept-5-ene-3,4-diimine.

Molecular Properties

Compound Name(E)-5-fluorohept-5-ene-3,4-diimine
PubChem CID123606437
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(E)-5-fluorohept-5-ene-3,4-diimine
SMILES[H]/N=C(C(\F)=C/C)/C(CC)=N/[H]
InChIInChI=1S/C7H11FN2/c1-3-5(8)7(10)6(9)4-2/h3,9-10H,4H2,1-2H3/b5-3+,9-6+,10-7+
InChIKeyHUBKKWRQYRNGBU-XOKHZQGNSA-N
XLogP2.31
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Fluorocyclohex-2-en-1-imine
CID 91211709
4-Fluorohex-4-en-3-imine
CID 91259833
(4E)-4-fluorohepta-1,4-dien-3-imine
CID 91304230
(E)-5-fluorohex-4-en-3-imine
CID 91325186
(E)-4-fluorohex-4-en-3-imine
CID 91480472
(E)-3-fluorohex-3-en-2-imine
CID 123164683
(Z)-6-fluorohex-4-en-3-imine
CID 123311862
(E)-3-fluoropent-3-en-2-imine
CID 123367626
4-Fluorohexa-1,4-dien-3-imine
CID 123515356
(E)-4-fluoropent-3-en-2-imine
CID 123517635
(4E)-4-fluorohexa-1,4-dien-3-imine
CID 123863187
(Z)-2,6-difluorohept-4-en-3-imine
CID 123953026

Frequently Asked Questions

What is the IUPAC name of (E)-5-fluorohept-5-ene-3,4-diimine?
The IUPAC name of (E)-5-fluorohept-5-ene-3,4-diimine (CID 123606437) is (E)-5-fluorohept-5-ene-3,4-diimine.
What is the SMILES notation for (E)-5-fluorohept-5-ene-3,4-diimine?
The canonical SMILES for (E)-5-fluorohept-5-ene-3,4-diimine is [H]/N=C(C(\F)=C/C)/C(CC)=N/[H].
What is the InChIKey of (E)-5-fluorohept-5-ene-3,4-diimine?
The InChIKey is HUBKKWRQYRNGBU-XOKHZQGNSA-N. The full InChI is InChI=1S/C7H11FN2/c1-3-5(8)7(10)6(9)4-2/h3,9-10H,4H2,1-2H3/b5-3+,9-6+,10-7+.
What are the key properties of (E)-5-fluorohept-5-ene-3,4-diimine?
(E)-5-fluorohept-5-ene-3,4-diimine has a molecular weight of 142.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluorohept-5-ene-3,4-diimine is sourced from PubChem (CID 123606437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).