2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C9H17F3N2O2 — CID 115571452

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)(C)CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(14-8(2,3)5-15)7(16)13-4-9(10,11)12/h6,14-15H,4-5H2,1-3H3,(H,13,16)
InChIKeyZIGUSSZGAXNQJT-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.41
Rot. Bonds5

About 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115571452) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115571452
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)(C)CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(14-8(2,3)5-15)7(16)13-4-9(10,11)12/h6,14-15H,4-5H2,1-3H3,(H,13,16)
InChIKeyZIGUSSZGAXNQJT-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propylpropanamide
CID 43393041
2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 114110936
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113484799
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571432
2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113233685
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104922013
2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571403
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-sulfanylbutanamide
CID 106173312
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115571452) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC(C)(C)CO)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZIGUSSZGAXNQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(14-8(2,3)5-15)7(16)13-4-9(10,11)12/h6,14-15H,4-5H2,1-3H3,(H,13,16).
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 242.24 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115571452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).