[(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene

C8H13FN2 — CID 123261386

IUPAC[(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene
SMILES[H]/N=N/C(=C/CCC)/C(C)=C\F
InChIInChI=1S/C8H13FN2/c1-3-4-5-8(11-10)7(2)6-9/h5-6,10H,3-4H2,1-2H3/b7-6-,8-5+,11-10+
InChIKeyWYRXHGLYQZBAER-YUBJOSTGSA-N
MW156.20 g/mol
LogP3.57
Rot. Bonds4

About [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene

[(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene (PubChem CID 123261386) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene.

Molecular Properties

Compound Name[(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene
PubChem CID123261386
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name[(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene
SMILES[H]/N=N/C(=C/CCC)/C(C)=C\F
InChIInChI=1S/C8H13FN2/c1-3-4-5-8(11-10)7(2)6-9/h5-6,10H,3-4H2,1-2H3/b7-6-,8-5+,11-10+
InChIKeyWYRXHGLYQZBAER-YUBJOSTGSA-N
XLogP3.57
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
[(2E,4E)-4-(fluoromethyl)hepta-2,4,6-trien-3-yl]-methyldiazene
CID 118543999
(3E,5E)-5-fluoro-2-methylhepta-1,3,5-trien-3-amine
CID 129169854
(3E)-3-fluoro-5-methylidenehepta-1,3-dien-2-amine
CID 142348650
(3E)-4-fluoro-5-methylidenehepta-1,3-dien-2-amine
CID 142348664
(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine
CID 166837179
(3Z)-3-ethyl-5-fluorohexa-1,3,5-trien-2-amine
CID 178113679
(3E,5E)-5-fluoro-2-methylhepta-1,3,5-trien-4-amine
CID 144429821
[(3E,5Z)-octa-3,5-dien-4-yl]diazene
CID 89030933
[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]diazene
CID 89278503
(3E,5E)-3-azido-6-methylocta-3,5-diene
CID 89301366
[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]diazene
CID 89383863

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene?
The IUPAC name of [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene (CID 123261386) is [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene.
What is the SMILES notation for [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene?
The canonical SMILES for [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene is [H]/N=N/C(=C/CCC)/C(C)=C\F.
What is the InChIKey of [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene?
The InChIKey is WYRXHGLYQZBAER-YUBJOSTGSA-N. The full InChI is InChI=1S/C8H13FN2/c1-3-4-5-8(11-10)7(2)6-9/h5-6,10H,3-4H2,1-2H3/b7-6-,8-5+,11-10+.
What are the key properties of [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene?
[(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene has a molecular weight of 156.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene is sourced from PubChem (CID 123261386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).