1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine

C4H5F4N — CID 129271739

IUPAC1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine
SMILESC=C(F)N(C)C(F)(F)F
InChIInChI=1S/C4H5F4N/c1-3(5)9(2)4(6,7)8/h1H2,2H3
InChIKeyGYTUMQMXFPYCNU-UHFFFAOYSA-N
MW143.08 g/mol
LogP1.88
Rot. Bonds1

About 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine

1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine (PubChem CID 129271739) has the molecular formula C4H5F4N and a molecular weight of 143.08 g/mol. Its IUPAC name is 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine.

Molecular Properties

Compound Name1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine
PubChem CID129271739
Molecular FormulaC4H5F4N
Molecular Weight143.08 g/mol
Exact Mass143.04
IUPAC Name1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine
SMILESC=C(F)N(C)C(F)(F)F
InChIInChI=1S/C4H5F4N/c1-3(5)9(2)4(6,7)8/h1H2,2H3
InChIKeyGYTUMQMXFPYCNU-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.08
LogP ≤ 51.88
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 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine?
The IUPAC name of 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine (CID 129271739) is 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine.
What is the SMILES notation for 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine?
The canonical SMILES for 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine is C=C(F)N(C)C(F)(F)F.
What is the InChIKey of 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine?
The InChIKey is GYTUMQMXFPYCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4N/c1-3(5)9(2)4(6,7)8/h1H2,2H3.
What are the key properties of 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine?
1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine has a molecular weight of 143.08 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methyl-N-(trifluoromethyl)ethenamine is sourced from PubChem (CID 129271739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).