2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C10H17F3N2O2 — CID 115713809

IUPAC2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(9(16)14-6-10(11,12)13)15-8-3-2-4-17-5-8/h7-8,15H,2-6H2,1H3,(H,14,16)
InChIKeyPETDJKNZZUYLCB-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.82
Rot. Bonds4

About 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115713809) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115713809
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(9(16)14-6-10(11,12)13)15-8-3-2-4-17-5-8/h7-8,15H,2-6H2,1H3,(H,14,16)
InChIKeyPETDJKNZZUYLCB-UHFFFAOYSA-N
XLogP0.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide 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-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115713809) is 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1CCCOC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PETDJKNZZUYLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(9(16)14-6-10(11,12)13)15-8-3-2-4-17-5-8/h7-8,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115713809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).