2,2,2-trifluoro-N-propan-2-yloxyethanamine

C5H10F3NO — CID 127012339

IUPAC2,2,2-trifluoro-N-propan-2-yloxyethanamine
SMILESCC(C)ONCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(2)10-9-3-5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyOEVPGSAZXIUGGZ-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.48
Rot. Bonds3

About 2,2,2-trifluoro-N-propan-2-yloxyethanamine

2,2,2-trifluoro-N-propan-2-yloxyethanamine (PubChem CID 127012339) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propan-2-yloxyethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propan-2-yloxyethanamine
PubChem CID127012339
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2,2,2-trifluoro-N-propan-2-yloxyethanamine
SMILESCC(C)ONCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(2)10-9-3-5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyOEVPGSAZXIUGGZ-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-propan-2-yloxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-propan-2-yloxyethanamine?
The IUPAC name of 2,2,2-trifluoro-N-propan-2-yloxyethanamine (CID 127012339) is 2,2,2-trifluoro-N-propan-2-yloxyethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-propan-2-yloxyethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-propan-2-yloxyethanamine is CC(C)ONCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-propan-2-yloxyethanamine?
The InChIKey is OEVPGSAZXIUGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-4(2)10-9-3-5(6,7)8/h4,9H,3H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-propan-2-yloxyethanamine?
2,2,2-trifluoro-N-propan-2-yloxyethanamine has a molecular weight of 157.13 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-propan-2-yloxyethanamine is sourced from PubChem (CID 127012339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).