3-fluoro-N-methylprop-2-en-1-imine

C4H6FN — CID 123404468

IUPAC3-fluoro-N-methylprop-2-en-1-imine
SMILESC/N=C/C=CF
InChIInChI=1S/C4H6FN/c1-6-4-2-3-5/h2-4H,1H3/b3-2?,6-4+
InChIKeyOHZZIVULPQFCLZ-KMSZJSRBSA-N
MW87.10 g/mol
LogP1.17
Rot. Bonds1

About 3-fluoro-N-methylprop-2-en-1-imine

3-fluoro-N-methylprop-2-en-1-imine (PubChem CID 123404468) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 3-fluoro-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name3-fluoro-N-methylprop-2-en-1-imine
PubChem CID123404468
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name3-fluoro-N-methylprop-2-en-1-imine
SMILESC/N=C/C=CF
InChIInChI=1S/C4H6FN/c1-6-4-2-3-5/h2-4H,1H3/b3-2?,6-4+
InChIKeyOHZZIVULPQFCLZ-KMSZJSRBSA-N
XLogP1.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 51.17
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-methylprop-2-en-1-imine?
The IUPAC name of 3-fluoro-N-methylprop-2-en-1-imine (CID 123404468) is 3-fluoro-N-methylprop-2-en-1-imine.
What is the SMILES notation for 3-fluoro-N-methylprop-2-en-1-imine?
The canonical SMILES for 3-fluoro-N-methylprop-2-en-1-imine is C/N=C/C=CF.
What is the InChIKey of 3-fluoro-N-methylprop-2-en-1-imine?
The InChIKey is OHZZIVULPQFCLZ-KMSZJSRBSA-N. The full InChI is InChI=1S/C4H6FN/c1-6-4-2-3-5/h2-4H,1H3/b3-2?,6-4+.
What are the key properties of 3-fluoro-N-methylprop-2-en-1-imine?
3-fluoro-N-methylprop-2-en-1-imine has a molecular weight of 87.10 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methylprop-2-en-1-imine is sourced from PubChem (CID 123404468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).