N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine

C7H10FN — CID 165151838

IUPACN-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C=C\CC
InChIInChI=1S/C7H10FN/c1-3-4-5-7(8)6-9-2/h4-6H,2-3H2,1H3/b5-4+,7-6+
InChIKeyVPXVWWPVUAHTDR-YTXTXJHMSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds3

About N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine

N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine (PubChem CID 165151838) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine
PubChem CID165151838
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C=C\CC
InChIInChI=1S/C7H10FN/c1-3-4-5-7(8)6-9-2/h4-6H,2-3H2,1H3/b5-4+,7-6+
InChIKeyVPXVWWPVUAHTDR-YTXTXJHMSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
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 ≤ 50
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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Related Compounds

(2E)-3-fluorohepta-2,4-diene
CID 143797404
(2E,4Z)-1,3-difluorohepta-2,4-diene
CID 142242505
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875
N-[3-but-1-enyl-2-(methylideneamino)hepta-1,3,5-trienyl]methanimine
CID 91282112
N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine
CID 153398370
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene
CID 142928333
N-[(3E)-hexa-1,3-dien-2-yl]ethanimine
CID 148865556
N'-[[[(3Z)-hexa-1,3-dien-2-yl]-methylamino]-methylamino]-N-methylidenemethanimidamide
CID 174101511
N-hexa-1,3-dienylmethanimine
CID 123963868
ethane;(4Z)-N-methylhepta-1,4-dien-3-imine
CID 144693446

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine (CID 165151838) is N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine is C=N/C=C(F)\C=C\CC.
What is the InChIKey of N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine?
The InChIKey is VPXVWWPVUAHTDR-YTXTXJHMSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-4-5-7(8)6-9-2/h4-6H,2-3H2,1H3/b5-4+,7-6+.
What are the key properties of N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine?
N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine is sourced from PubChem (CID 165151838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).