N-buta-1,2-dienylprop-2-enimidoyl fluoride

C7H8FN — CID 123474203

IUPACN-buta-1,2-dienylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C=C=CC
InChIInChI=1S/C7H8FN/c1-3-5-6-9-7(8)4-2/h3-4,6H,2H2,1H3/b9-7-
InChIKeyGZSBFJXXJZHGHG-CLFYSBASSA-N
MW125.15 g/mol
LogP2.23
Rot. Bonds2

About N-buta-1,2-dienylprop-2-enimidoyl fluoride

N-buta-1,2-dienylprop-2-enimidoyl fluoride (PubChem CID 123474203) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is N-buta-1,2-dienylprop-2-enimidoyl fluoride.

Molecular Properties

Compound NameN-buta-1,2-dienylprop-2-enimidoyl fluoride
PubChem CID123474203
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC NameN-buta-1,2-dienylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C=C=CC
InChIInChI=1S/C7H8FN/c1-3-5-6-9-7(8)4-2/h3-4,6H,2H2,1H3/b9-7-
InChIKeyGZSBFJXXJZHGHG-CLFYSBASSA-N
XLogP2.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-2-fluoroprop-1-enyl]but-3-en-2-imine
CID 89864903
N-[(Z)-prop-1-enyl]ethanimidoyl fluoride
CID 129055348
N-[(1Z)-buta-1,3-dienyl]prop-2-enimidoyl fluoride
CID 132011259
(Z)-N-ethylbut-2-enimidoyl fluoride
CID 134492872
(Z)-N-ethenylbut-2-enimidoyl fluoride
CID 142896116
N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride
CID 143915091
N-ethenylprop-2-enimidoyl fluoride
CID 143981222
N-propylprop-2-enimidoyl fluoride
CID 144683898
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl fluoride
CID 156479491
N-methylprop-2-enimidoyl fluoride
CID 164561964
ethane;(Z)-N-ethenylbut-2-enimidoyl fluoride
CID 142896115
ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride
CID 144648789

Frequently Asked Questions

What is the IUPAC name of N-buta-1,2-dienylprop-2-enimidoyl fluoride?
The IUPAC name of N-buta-1,2-dienylprop-2-enimidoyl fluoride (CID 123474203) is N-buta-1,2-dienylprop-2-enimidoyl fluoride.
What is the SMILES notation for N-buta-1,2-dienylprop-2-enimidoyl fluoride?
The canonical SMILES for N-buta-1,2-dienylprop-2-enimidoyl fluoride is C=C/C(F)=N/C=C=CC.
What is the InChIKey of N-buta-1,2-dienylprop-2-enimidoyl fluoride?
The InChIKey is GZSBFJXXJZHGHG-CLFYSBASSA-N. The full InChI is InChI=1S/C7H8FN/c1-3-5-6-9-7(8)4-2/h3-4,6H,2H2,1H3/b9-7-.
What are the key properties of N-buta-1,2-dienylprop-2-enimidoyl fluoride?
N-buta-1,2-dienylprop-2-enimidoyl fluoride has a molecular weight of 125.15 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,2-dienylprop-2-enimidoyl fluoride is sourced from PubChem (CID 123474203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).