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

C11H19F3N2O2 — CID 114095850

IUPAC2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1(C)CCOC1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-7(9(17)15-6-11(12,13)14)16-10(3)4-5-18-8(10)2/h7-8,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyDFATWELDTCBQNA-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.21
Rot. Bonds4

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

2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 114095850) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID114095850
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1(C)CCOC1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-7(9(17)15-6-11(12,13)14)16-10(3)4-5-18-8(10)2/h7-8,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyDFATWELDTCBQNA-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 75436465
2-amino-3,3,3-trifluoro-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 79797841
2-amino-3,3,3-trifluoro-N-(1-methoxypentan-2-yl)-2-methylpropanamide
CID 79810803
2-amino-N-(2-cyclopentyloxyethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811462
2-amino-3,3,3-trifluoro-2-methyl-N-(oxolan-3-yl)propanamide
CID 80713343
2-Methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide
CID 82719066
N-(2-methyloxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 82728144
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyloxolan-3-yl)propanamide
CID 82729113
N-methyl-N-(2-methyloxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 82738581
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82738955
(2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97329607
(2R)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97329608

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 114095850) is 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1(C)CCOC1C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DFATWELDTCBQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7(9(17)15-6-11(12,13)14)16-10(3)4-5-18-8(10)2/h7-8,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 114095850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).