4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine

C10H15FN2 — CID 123282351

IUPAC4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine
SMILES[H]/N=C/C/C(=N\[H])C(CC)=C(F)C=CC
InChIInChI=1S/C10H15FN2/c1-3-5-9(11)8(4-2)10(13)6-7-12/h3,5,7,12-13H,4,6H2,1-2H3/b5-3?,9-8?,12-7+,13-10+
InChIKeyJAIPMFJVWYSIBO-DTQULKCNSA-N
MW182.24 g/mol
LogP3.26
Rot. Bonds5

About 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine

4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine (PubChem CID 123282351) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine.

Molecular Properties

Compound Name4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine
PubChem CID123282351
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine
SMILES[H]/N=C/C/C(=N\[H])C(CC)=C(F)C=CC
InChIInChI=1S/C10H15FN2/c1-3-5-9(11)8(4-2)10(13)6-7-12/h3,5,7,12-13H,4,6H2,1-2H3/b5-3?,9-8?,12-7+,13-10+
InChIKeyJAIPMFJVWYSIBO-DTQULKCNSA-N
XLogP3.26
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-ethylidenehept-5-en-3-imine
CID 123855505
(Z)-hept-5-ene-3,4-diimine
CID 123802177
4-fluoro-5-methylhepta-2,4-diene
CID 123466906
propane;propane-1,3-diimine
CID 142057441
(3E)-3-ethylhexa-3,5-dien-1-imine
CID 163913850
(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
4-iminobutan-2-one
CID 20812331
(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine
CID 156548687
CID 90783980
CID 90783980
ethyl(3-fluorohexa-2,4-dien-2-yl)borinic acid
CID 123589973
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
CID 123621757
propane-1,3-diimine
CID 18934492

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine?
The IUPAC name of 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine (CID 123282351) is 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine.
What is the SMILES notation for 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine?
The canonical SMILES for 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine is [H]/N=C/C/C(=N\[H])C(CC)=C(F)C=CC.
What is the InChIKey of 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine?
The InChIKey is JAIPMFJVWYSIBO-DTQULKCNSA-N. The full InChI is InChI=1S/C10H15FN2/c1-3-5-9(11)8(4-2)10(13)6-7-12/h3,5,7,12-13H,4,6H2,1-2H3/b5-3?,9-8?,12-7+,13-10+.
What are the key properties of 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine?
4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine has a molecular weight of 182.24 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine is sourced from PubChem (CID 123282351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).