3-(difluoromethylimino)-2-methylprop-1-en-1-amine

C5H8F2N2 — CID 174063181

IUPAC3-(difluoromethylimino)-2-methylprop-1-en-1-amine
SMILESCC(C=NC(F)F)=CN
InChIInChI=1S/C5H8F2N2/c1-4(2-8)3-9-5(6)7/h2-3,5H,8H2,1H3
InChIKeyKOXWANOGFVYEJH-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.14
Rot. Bonds2

About 3-(difluoromethylimino)-2-methylprop-1-en-1-amine

3-(difluoromethylimino)-2-methylprop-1-en-1-amine (PubChem CID 174063181) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3-(difluoromethylimino)-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Name3-(difluoromethylimino)-2-methylprop-1-en-1-amine
PubChem CID174063181
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name3-(difluoromethylimino)-2-methylprop-1-en-1-amine
SMILESCC(C=NC(F)F)=CN
InChIInChI=1S/C5H8F2N2/c1-4(2-8)3-9-5(6)7/h2-3,5H,8H2,1H3
InChIKeyKOXWANOGFVYEJH-UHFFFAOYSA-N
XLogP1.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(difluoromethylimino)-2-methylprop-1-en-1-amine 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

(Z)-N-(3-(Dimethylamino)-2-(trifluoromethyl)allylidene)-N-methylmethanaminium
CID 10545081
[(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium
CID 11075243
Dimethyl[(Z)-2-(trifluoromethyl)-3-(dimethylamino)-2-propenylidene]aminium
CID 28360545
(Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
CID 122490949
2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
CID 123799783
(E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine
CID 135251200
(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
CID 138628577
(E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine
CID 143245775
(Z,3E)-3-(difluoromethylimino)-2-methylprop-1-en-1-amine
CID 144443620
dimethyl-[(Z)-3-(methylamino)-2-(trifluoromethyl)prop-2-enylidene]azanium
CID 144448385
3,3,3-Trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
CID 147515470
(Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine
CID 147780972

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylimino)-2-methylprop-1-en-1-amine?
The IUPAC name of 3-(difluoromethylimino)-2-methylprop-1-en-1-amine (CID 174063181) is 3-(difluoromethylimino)-2-methylprop-1-en-1-amine.
What is the SMILES notation for 3-(difluoromethylimino)-2-methylprop-1-en-1-amine?
The canonical SMILES for 3-(difluoromethylimino)-2-methylprop-1-en-1-amine is CC(C=NC(F)F)=CN.
What is the InChIKey of 3-(difluoromethylimino)-2-methylprop-1-en-1-amine?
The InChIKey is KOXWANOGFVYEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-4(2-8)3-9-5(6)7/h2-3,5H,8H2,1H3.
What are the key properties of 3-(difluoromethylimino)-2-methylprop-1-en-1-amine?
3-(difluoromethylimino)-2-methylprop-1-en-1-amine has a molecular weight of 134.13 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylimino)-2-methylprop-1-en-1-amine is sourced from PubChem (CID 174063181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).