2-ethoxy-3,3,3-trifluoropropan-1-amine

C5H10F3NO — CID 43752850

IUPAC2-ethoxy-3,3,3-trifluoropropan-1-amine
SMILESCCOC(CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-10-4(3-9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyZGYWKBIBZRFFOE-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.91
Rot. Bonds3

About 2-ethoxy-3,3,3-trifluoropropan-1-amine

2-ethoxy-3,3,3-trifluoropropan-1-amine (PubChem CID 43752850) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-ethoxy-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3,3,3-trifluoropropan-1-amine
PubChem CID43752850
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2-ethoxy-3,3,3-trifluoropropan-1-amine
SMILESCCOC(CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-10-4(3-9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyZGYWKBIBZRFFOE-UHFFFAOYSA-N
XLogP0.91
TPSA35.25 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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-3,3,3-trifluoropropan-1-amine 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-ethoxy-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-ethoxy-3,3,3-trifluoropropan-1-amine (CID 43752850) is 2-ethoxy-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-ethoxy-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-ethoxy-3,3,3-trifluoropropan-1-amine is CCOC(CN)C(F)(F)F.
What is the InChIKey of 2-ethoxy-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZGYWKBIBZRFFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-10-4(3-9)5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 2-ethoxy-3,3,3-trifluoropropan-1-amine?
2-ethoxy-3,3,3-trifluoropropan-1-amine has a molecular weight of 157.13 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).