N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine

C6H8FNO — CID 163709987

IUPACN-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine
SMILESC=NO/C=C/C(F)=C\C
InChIInChI=1S/C6H8FNO/c1-3-6(7)4-5-9-8-2/h3-5H,2H2,1H3/b5-4+,6-3+
InChIKeyKIJHSVLMRICSQH-UTTVJGTNSA-N
MW129.13 g/mol
LogP2.01
Rot. Bonds3

About N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine

N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine (PubChem CID 163709987) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine
PubChem CID163709987
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC NameN-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine
SMILESC=NO/C=C/C(F)=C\C
InChIInChI=1S/C6H8FNO/c1-3-6(7)4-5-9-8-2/h3-5H,2H2,1H3/b5-4+,6-3+
InChIKeyKIJHSVLMRICSQH-UTTVJGTNSA-N
XLogP2.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethene;(2E,4Z)-3-fluorohexa-2,4-diene
CID 143779998
(Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine
CID 134365618
(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene
CID 134192246
(E)-2-fluorobut-2-enal
CID 19090867
(Z)-2-fluorobut-2-enal
CID 643145
(2Z,4E)-4-fluorohexa-2,4-dienethial
CID 146259187
(2E)-3-fluorohepta-2,4-diene
CID 143797404
(2E,4Z,6Z)-2,6-difluoroocta-2,4,6-triene
CID 143576318
(NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine
CID 118667310
N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine
CID 165151838
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405
(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
CID 89381383

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine?
The IUPAC name of N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine (CID 163709987) is N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine.
What is the SMILES notation for N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine?
The canonical SMILES for N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine is C=NO/C=C/C(F)=C\C.
What is the InChIKey of N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine?
The InChIKey is KIJHSVLMRICSQH-UTTVJGTNSA-N. The full InChI is InChI=1S/C6H8FNO/c1-3-6(7)4-5-9-8-2/h3-5H,2H2,1H3/b5-4+,6-3+.
What are the key properties of N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine?
N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine has a molecular weight of 129.13 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine is sourced from PubChem (CID 163709987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).