N-methyl-N-(trifluoromethyl)ethenamine

C4H6F3N — CID 121361159

IUPACN-methyl-N-(trifluoromethyl)ethenamine
SMILESC=CN(C)C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-3-8(2)4(5,6)7/h3H,1H2,2H3
InChIKeyRJWUSQDGBPPHCX-UHFFFAOYSA-N
MW125.09 g/mol
LogP1.58
Rot. Bonds1

About N-methyl-N-(trifluoromethyl)ethenamine

N-methyl-N-(trifluoromethyl)ethenamine (PubChem CID 121361159) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethyl)ethenamine.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethyl)ethenamine
PubChem CID121361159
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC NameN-methyl-N-(trifluoromethyl)ethenamine
SMILESC=CN(C)C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-3-8(2)4(5,6)7/h3H,1H2,2H3
InChIKeyRJWUSQDGBPPHCX-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trifluoromethyl)ethenamine?
The IUPAC name of N-methyl-N-(trifluoromethyl)ethenamine (CID 121361159) is N-methyl-N-(trifluoromethyl)ethenamine.
What is the SMILES notation for N-methyl-N-(trifluoromethyl)ethenamine?
The canonical SMILES for N-methyl-N-(trifluoromethyl)ethenamine is C=CN(C)C(F)(F)F.
What is the InChIKey of N-methyl-N-(trifluoromethyl)ethenamine?
The InChIKey is RJWUSQDGBPPHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N/c1-3-8(2)4(5,6)7/h3H,1H2,2H3.
What are the key properties of N-methyl-N-(trifluoromethyl)ethenamine?
N-methyl-N-(trifluoromethyl)ethenamine has a molecular weight of 125.09 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethyl)ethenamine is sourced from PubChem (CID 121361159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).