N-ethenyl-1,2,2-trifluoroethanamine

C4H6F3N — CID 175559672

IUPACN-ethenyl-1,2,2-trifluoroethanamine
SMILESC=CNC(F)C(F)F
InChIInChI=1S/C4H6F3N/c1-2-8-4(7)3(5)6/h2-4,8H,1H2
InChIKeyGJLMZFJZSOPKEC-UHFFFAOYSA-N
MW125.09 g/mol
LogP1.28
Rot. Bonds3

About N-ethenyl-1,2,2-trifluoroethanamine

N-ethenyl-1,2,2-trifluoroethanamine (PubChem CID 175559672) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is N-ethenyl-1,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-ethenyl-1,2,2-trifluoroethanamine
PubChem CID175559672
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC NameN-ethenyl-1,2,2-trifluoroethanamine
SMILESC=CNC(F)C(F)F
InChIInChI=1S/C4H6F3N/c1-2-8-4(7)3(5)6/h2-4,8H,1H2
InChIKeyGJLMZFJZSOPKEC-UHFFFAOYSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 51.28
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-ethenyl-1,2,2-trifluoroethanamine?
The IUPAC name of N-ethenyl-1,2,2-trifluoroethanamine (CID 175559672) is N-ethenyl-1,2,2-trifluoroethanamine.
What is the SMILES notation for N-ethenyl-1,2,2-trifluoroethanamine?
The canonical SMILES for N-ethenyl-1,2,2-trifluoroethanamine is C=CNC(F)C(F)F.
What is the InChIKey of N-ethenyl-1,2,2-trifluoroethanamine?
The InChIKey is GJLMZFJZSOPKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N/c1-2-8-4(7)3(5)6/h2-4,8H,1H2.
What are the key properties of N-ethenyl-1,2,2-trifluoroethanamine?
N-ethenyl-1,2,2-trifluoroethanamine has a molecular weight of 125.09 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1,2,2-trifluoroethanamine is sourced from PubChem (CID 175559672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).