2-fluoro-N,3-dimethylbut-2-en-1-imine

C6H10FN — CID 134377611

IUPAC2-fluoro-N,3-dimethylbut-2-en-1-imine
SMILESC/N=C/C(F)=C(C)C
InChIInChI=1S/C6H10FN/c1-5(2)6(7)4-8-3/h4H,1-3H3/b8-4+
InChIKeyDBMRXBVJCUGJHD-XBXARRHUSA-N
MW115.15 g/mol
LogP1.95
Rot. Bonds1

About 2-fluoro-N,3-dimethylbut-2-en-1-imine

2-fluoro-N,3-dimethylbut-2-en-1-imine (PubChem CID 134377611) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 2-fluoro-N,3-dimethylbut-2-en-1-imine.

Molecular Properties

Compound Name2-fluoro-N,3-dimethylbut-2-en-1-imine
PubChem CID134377611
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name2-fluoro-N,3-dimethylbut-2-en-1-imine
SMILESC/N=C/C(F)=C(C)C
InChIInChI=1S/C6H10FN/c1-5(2)6(7)4-8-3/h4H,1-3H3/b8-4+
InChIKeyDBMRXBVJCUGJHD-XBXARRHUSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-N,3-dimethylbut-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 2-fluoro-N,3-dimethylbut-2-en-1-imine?
The IUPAC name of 2-fluoro-N,3-dimethylbut-2-en-1-imine (CID 134377611) is 2-fluoro-N,3-dimethylbut-2-en-1-imine.
What is the SMILES notation for 2-fluoro-N,3-dimethylbut-2-en-1-imine?
The canonical SMILES for 2-fluoro-N,3-dimethylbut-2-en-1-imine is C/N=C/C(F)=C(C)C.
What is the InChIKey of 2-fluoro-N,3-dimethylbut-2-en-1-imine?
The InChIKey is DBMRXBVJCUGJHD-XBXARRHUSA-N. The full InChI is InChI=1S/C6H10FN/c1-5(2)6(7)4-8-3/h4H,1-3H3/b8-4+.
What are the key properties of 2-fluoro-N,3-dimethylbut-2-en-1-imine?
2-fluoro-N,3-dimethylbut-2-en-1-imine has a molecular weight of 115.15 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,3-dimethylbut-2-en-1-imine is sourced from PubChem (CID 134377611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).