N-(3,3-difluoroprop-1-en-2-yl)ethanimine

C5H7F2N — CID 139563797

IUPACN-(3,3-difluoroprop-1-en-2-yl)ethanimine
SMILESC=C(/N=C/C)C(F)F
InChIInChI=1S/C5H7F2N/c1-3-8-4(2)5(6)7/h3,5H,2H2,1H3/b8-3+
InChIKeyDBILVAZBECIPAG-FPYGCLRLSA-N
MW119.11 g/mol
LogP1.86
Rot. Bonds2

About N-(3,3-difluoroprop-1-en-2-yl)ethanimine

N-(3,3-difluoroprop-1-en-2-yl)ethanimine (PubChem CID 139563797) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is N-(3,3-difluoroprop-1-en-2-yl)ethanimine.

Molecular Properties

Compound NameN-(3,3-difluoroprop-1-en-2-yl)ethanimine
PubChem CID139563797
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC NameN-(3,3-difluoroprop-1-en-2-yl)ethanimine
SMILESC=C(/N=C/C)C(F)F
InChIInChI=1S/C5H7F2N/c1-3-8-4(2)5(6)7/h3,5H,2H2,1H3/b8-3+
InChIKeyDBILVAZBECIPAG-FPYGCLRLSA-N
XLogP1.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,3-difluoroprop-1-en-2-yl)ethanimine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
2-fluoro-N-prop-1-en-2-ylprop-2-en-1-imine
CID 144380528
N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine
CID 145679929
1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine
CID 146506029
N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine
CID 147943522
N-(3-fluoroprop-1-en-2-yl)ethanimine
CID 167049376
N-(3-fluorobut-1-en-2-yl)ethanimine
CID 144013618
N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine
CID 162613420

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoroprop-1-en-2-yl)ethanimine?
The IUPAC name of N-(3,3-difluoroprop-1-en-2-yl)ethanimine (CID 139563797) is N-(3,3-difluoroprop-1-en-2-yl)ethanimine.
What is the SMILES notation for N-(3,3-difluoroprop-1-en-2-yl)ethanimine?
The canonical SMILES for N-(3,3-difluoroprop-1-en-2-yl)ethanimine is C=C(/N=C/C)C(F)F.
What is the InChIKey of N-(3,3-difluoroprop-1-en-2-yl)ethanimine?
The InChIKey is DBILVAZBECIPAG-FPYGCLRLSA-N. The full InChI is InChI=1S/C5H7F2N/c1-3-8-4(2)5(6)7/h3,5H,2H2,1H3/b8-3+.
What are the key properties of N-(3,3-difluoroprop-1-en-2-yl)ethanimine?
N-(3,3-difluoroprop-1-en-2-yl)ethanimine has a molecular weight of 119.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoroprop-1-en-2-yl)ethanimine is sourced from PubChem (CID 139563797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).