N-(trifluoromethyl)ethenamine

C3H4F3N — CID 142975971

IUPACN-(trifluoromethyl)ethenamine
SMILESC=CNC(F)(F)F
InChIInChI=1S/C3H4F3N/c1-2-7-3(4,5)6/h2,7H,1H2
InChIKeyUXUJJBFKAVFQDY-UHFFFAOYSA-N
MW111.07 g/mol
LogP1.24
Rot. Bonds1

About N-(trifluoromethyl)ethenamine

N-(trifluoromethyl)ethenamine (PubChem CID 142975971) has the molecular formula C3H4F3N and a molecular weight of 111.07 g/mol. Its IUPAC name is N-(trifluoromethyl)ethenamine.

Molecular Properties

Compound NameN-(trifluoromethyl)ethenamine
PubChem CID142975971
Molecular FormulaC3H4F3N
Molecular Weight111.07 g/mol
Exact Mass111.03
IUPAC NameN-(trifluoromethyl)ethenamine
SMILESC=CNC(F)(F)F
InChIInChI=1S/C3H4F3N/c1-2-7-3(4,5)6/h2,7H,1H2
InChIKeyUXUJJBFKAVFQDY-UHFFFAOYSA-N
XLogP1.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.07
LogP ≤ 51.24
H-Bond Donors ≤ 51
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-(trifluoromethyl)ethenamine?
The IUPAC name of N-(trifluoromethyl)ethenamine (CID 142975971) is N-(trifluoromethyl)ethenamine.
What is the SMILES notation for N-(trifluoromethyl)ethenamine?
The canonical SMILES for N-(trifluoromethyl)ethenamine is C=CNC(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)ethenamine?
The InChIKey is UXUJJBFKAVFQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3N/c1-2-7-3(4,5)6/h2,7H,1H2.
What are the key properties of N-(trifluoromethyl)ethenamine?
N-(trifluoromethyl)ethenamine has a molecular weight of 111.07 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)ethenamine is sourced from PubChem (CID 142975971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).