N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine

C6H8FN — CID 123868124

IUPACN-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine
SMILESC=C/C(F)=C\N=C\C
InChIInChI=1S/C6H8FN/c1-3-6(7)5-8-4-2/h3-5H,1H2,2H3/b6-5+,8-4+
InChIKeyRVOLCOIUFUJBBD-PTFSRLPTSA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

About N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine

N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine (PubChem CID 123868124) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine
PubChem CID123868124
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC NameN-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine
SMILESC=C/C(F)=C\N=C\C
InChIInChI=1S/C6H8FN/c1-3-6(7)5-8-4-2/h3-5H,1H2,2H3/b6-5+,8-4+
InChIKeyRVOLCOIUFUJBBD-PTFSRLPTSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 52.07
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

(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
N-[(1E,3E)-2,4-difluorobuta-1,3-dienyl]propan-1-imine
CID 122647091
N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine
CID 122647093
N-(2-fluoroprop-1-enyl)ethanimine
CID 123691073
N-butyl-3-fluoroprop-2-en-1-imine
CID 124032368
N-[(Z)-prop-1-enyl]ethanimidoyl fluoride
CID 129055348
N-[(1Z)-buta-1,3-dienyl]prop-2-enimidoyl fluoride
CID 132011259
N-[(1Z)-buta-1,3-dienyl]ethanimine;ethane;1,1,1-trifluoropropane
CID 143345137
(Z)-N-(1-fluoro-2-methylprop-1-enyl)prop-2-en-1-imine
CID 143420585
N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]methanimine
CID 143599379
N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride
CID 143915091
N-[(1E)-2-fluorobuta-1,3-dienyl]propan-2-imine
CID 144406111

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine (CID 123868124) is N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine is C=C/C(F)=C\N=C\C.
What is the InChIKey of N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine?
The InChIKey is RVOLCOIUFUJBBD-PTFSRLPTSA-N. The full InChI is InChI=1S/C6H8FN/c1-3-6(7)5-8-4-2/h3-5H,1H2,2H3/b6-5+,8-4+.
What are the key properties of N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine?
N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine has a molecular weight of 113.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 123868124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).