3-fluoro-N-methylbut-3-en-2-imine

C5H8FN — CID 123187857

IUPAC3-fluoro-N-methylbut-3-en-2-imine
SMILESC=C(F)/C(C)=N/C
InChIInChI=1S/C5H8FN/c1-4(6)5(2)7-3/h1H2,2-3H3/b7-5+
InChIKeyRDTGJBYZLZFEGL-FNORWQNLSA-N
MW101.12 g/mol
LogP1.56
Rot. Bonds1

About 3-fluoro-N-methylbut-3-en-2-imine

3-fluoro-N-methylbut-3-en-2-imine (PubChem CID 123187857) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 3-fluoro-N-methylbut-3-en-2-imine.

Molecular Properties

Compound Name3-fluoro-N-methylbut-3-en-2-imine
PubChem CID123187857
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name3-fluoro-N-methylbut-3-en-2-imine
SMILESC=C(F)/C(C)=N/C
InChIInChI=1S/C5H8FN/c1-4(6)5(2)7-3/h1H2,2-3H3/b7-5+
InChIKeyRDTGJBYZLZFEGL-FNORWQNLSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methylbut-3-en-2-imine?
The IUPAC name of 3-fluoro-N-methylbut-3-en-2-imine (CID 123187857) is 3-fluoro-N-methylbut-3-en-2-imine.
What is the SMILES notation for 3-fluoro-N-methylbut-3-en-2-imine?
The canonical SMILES for 3-fluoro-N-methylbut-3-en-2-imine is C=C(F)/C(C)=N/C.
What is the InChIKey of 3-fluoro-N-methylbut-3-en-2-imine?
The InChIKey is RDTGJBYZLZFEGL-FNORWQNLSA-N. The full InChI is InChI=1S/C5H8FN/c1-4(6)5(2)7-3/h1H2,2-3H3/b7-5+.
What are the key properties of 3-fluoro-N-methylbut-3-en-2-imine?
3-fluoro-N-methylbut-3-en-2-imine has a molecular weight of 101.12 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methylbut-3-en-2-imine is sourced from PubChem (CID 123187857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).