1,2,2-trifluoroethanamine

C2H4F3N — CID 18361089

IUPAC1,2,2-trifluoroethanamine
SMILESNC(F)C(F)F
InChIInChI=1S/C2H4F3N/c3-1(4)2(5)6/h1-2H,6H2
InChIKeyNOUBDJRNAIFHNQ-UHFFFAOYSA-N
MW99.05 g/mol
LogP0.51
Rot. Bonds1

About 1,2,2-trifluoroethanamine

1,2,2-trifluoroethanamine (PubChem CID 18361089) has the molecular formula C2H4F3N and a molecular weight of 99.05 g/mol. Its IUPAC name is 1,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1,2,2-trifluoroethanamine
PubChem CID18361089
Molecular FormulaC2H4F3N
Molecular Weight99.05 g/mol
Exact Mass99.03
IUPAC Name1,2,2-trifluoroethanamine
SMILESNC(F)C(F)F
InChIInChI=1S/C2H4F3N/c3-1(4)2(5)6/h1-2H,6H2
InChIKeyNOUBDJRNAIFHNQ-UHFFFAOYSA-N
XLogP0.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.05
LogP ≤ 50.51
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 1,2,2-trifluoroethanamine?
The IUPAC name of 1,2,2-trifluoroethanamine (CID 18361089) is 1,2,2-trifluoroethanamine.
What is the SMILES notation for 1,2,2-trifluoroethanamine?
The canonical SMILES for 1,2,2-trifluoroethanamine is NC(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoroethanamine?
The InChIKey is NOUBDJRNAIFHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3N/c3-1(4)2(5)6/h1-2H,6H2.
What are the key properties of 1,2,2-trifluoroethanamine?
1,2,2-trifluoroethanamine has a molecular weight of 99.05 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethanamine is sourced from PubChem (CID 18361089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).