(Z)-N-(fluoromethyl)but-2-en-1-imine

C5H8FN — CID 154033399

IUPAC(Z)-N-(fluoromethyl)but-2-en-1-imine
SMILESC/C=C\C=NCF
InChIInChI=1S/C5H8FN/c1-2-3-4-7-5-6/h2-4H,5H2,1H3/b3-2-,7-4?
InChIKeyDWULHOLQXKKBNN-OIAQYOMISA-N
MW101.12 g/mol
LogP1.56
Rot. Bonds2

About (Z)-N-(fluoromethyl)but-2-en-1-imine

(Z)-N-(fluoromethyl)but-2-en-1-imine (PubChem CID 154033399) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (Z)-N-(fluoromethyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(fluoromethyl)but-2-en-1-imine
PubChem CID154033399
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(Z)-N-(fluoromethyl)but-2-en-1-imine
SMILESC/C=C\C=NCF
InChIInChI=1S/C5H8FN/c1-2-3-4-7-5-6/h2-4H,5H2,1H3/b3-2-,7-4?
InChIKeyDWULHOLQXKKBNN-OIAQYOMISA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (Z)-N-(fluoromethyl)but-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(fluoromethyl)but-2-en-1-imine?
The IUPAC name of (Z)-N-(fluoromethyl)but-2-en-1-imine (CID 154033399) is (Z)-N-(fluoromethyl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-(fluoromethyl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-(fluoromethyl)but-2-en-1-imine is C/C=C\C=NCF.
What is the InChIKey of (Z)-N-(fluoromethyl)but-2-en-1-imine?
The InChIKey is DWULHOLQXKKBNN-OIAQYOMISA-N. The full InChI is InChI=1S/C5H8FN/c1-2-3-4-7-5-6/h2-4H,5H2,1H3/b3-2-,7-4?.
What are the key properties of (Z)-N-(fluoromethyl)but-2-en-1-imine?
(Z)-N-(fluoromethyl)but-2-en-1-imine has a molecular weight of 101.12 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(fluoromethyl)but-2-en-1-imine is sourced from PubChem (CID 154033399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).