1-ethoxy-2,2,2-trifluoro-N-methylethanamine

C5H10F3NO — CID 58790311

IUPAC1-ethoxy-2,2,2-trifluoro-N-methylethanamine
SMILESCCOC(NC)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3-10-4(9-2)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyUKCHWSWUVPCVOX-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.13
Rot. Bonds3

About 1-ethoxy-2,2,2-trifluoro-N-methylethanamine

1-ethoxy-2,2,2-trifluoro-N-methylethanamine (PubChem CID 58790311) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 1-ethoxy-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-ethoxy-2,2,2-trifluoro-N-methylethanamine
PubChem CID58790311
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name1-ethoxy-2,2,2-trifluoro-N-methylethanamine
SMILESCCOC(NC)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3-10-4(9-2)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyUKCHWSWUVPCVOX-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-ethoxy-2,2,2-trifluoro-N-methylethanamine (CID 58790311) is 1-ethoxy-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-ethoxy-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-ethoxy-2,2,2-trifluoro-N-methylethanamine is CCOC(NC)C(F)(F)F.
What is the InChIKey of 1-ethoxy-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is UKCHWSWUVPCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-3-10-4(9-2)5(6,7)8/h4,9H,3H2,1-2H3.
What are the key properties of 1-ethoxy-2,2,2-trifluoro-N-methylethanamine?
1-ethoxy-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 157.13 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 58790311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).