2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C10H17F3N2O2 — CID 115751254

IUPAC2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCOC1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-6(9(16)14-5-10(11,12)13)15-8-3-4-17-7(8)2/h6-8,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyXKTVGBWHEQGCAB-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.82
Rot. Bonds4

About 2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115751254) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115751254
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCOC1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-6(9(16)14-5-10(11,12)13)15-8-3-4-17-7(8)2/h6-8,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyXKTVGBWHEQGCAB-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115751254) is 2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1CCOC1C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XKTVGBWHEQGCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6(9(16)14-5-10(11,12)13)15-8-3-4-17-7(8)2/h6-8,15H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(2-methyloxolan-3-yl)amino]-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-[(2-methyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115751254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).