2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C10H17F3N2O2 — CID 115581038

IUPAC2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1CCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(9(16)15-6-10(11,12)13)14-4-8-2-3-17-5-8/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyTTYJCEOQVQBLSP-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.68
Rot. Bonds5

About 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115581038) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115581038
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1CCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(9(16)15-6-10(11,12)13)14-4-8-2-3-17-5-8/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyTTYJCEOQVQBLSP-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115587189
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
(2R)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95293289
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54905939
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
N,N-diethyl-2-(oxolan-3-ylmethylamino)propanamide
CID 43433587
N-tert-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 55210335
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 63711162
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide
CID 113411967

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115581038) is 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1CCOC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is TTYJCEOQVQBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(9(16)15-6-10(11,12)13)14-4-8-2-3-17-5-8/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115581038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).