(Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine

C6H9F3N2 — CID 147780972

IUPAC(Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine
SMILESC/N=C/C(=C/NC)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-10-3-5(4-11-2)6(7,8)9/h3-4,10H,1-2H3/b5-3-,11-4+
InChIKeyHHTZSFBCARJDLM-DVJFJSKXSA-N
MW166.15 g/mol
LogP1.35
Rot. Bonds2

About (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine

(Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine (PubChem CID 147780972) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine
PubChem CID147780972
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine
SMILESC/N=C/C(=C/NC)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-10-3-5(4-11-2)6(7,8)9/h3-4,10H,1-2H3/b5-3-,11-4+
InChIKeyHHTZSFBCARJDLM-DVJFJSKXSA-N
XLogP1.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-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
2-Fluoro-5-methyl-1,2-dihydropyrimidine
CID 21612229
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
(Z)-2-methyl-3-(methylamino)prop-2-enimidoyl fluoride
CID 146384592

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine?
The IUPAC name of (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine (CID 147780972) is (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine is C/N=C/C(=C/NC)C(F)(F)F.
What is the InChIKey of (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine?
The InChIKey is HHTZSFBCARJDLM-DVJFJSKXSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-10-3-5(4-11-2)6(7,8)9/h3-4,10H,1-2H3/b5-3-,11-4+.
What are the key properties of (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine?
(Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine has a molecular weight of 166.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine is sourced from PubChem (CID 147780972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).