2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2 — CID 66091400

IUPAC2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(CCO)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(2-3-15)4-13-5-8(16)14-6-9(10,11)12/h7,13,15H,2-6H2,1H3,(H,14,16)
InChIKeyWQTRHQDCVMMTDK-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.27
Rot. Bonds7

About 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66091400) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66091400
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(CCO)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(2-3-15)4-13-5-8(16)14-6-9(10,11)12/h7,13,15H,2-6H2,1H3,(H,14,16)
InChIKeyWQTRHQDCVMMTDK-UHFFFAOYSA-N
XLogP0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-2-methylbutyl)amino]-N-propylacetamide
CID 66092546
2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 102698001
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
4-methyl-6-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]hexanoic acid
CID 65287156
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 112682989
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113278483
4-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
CID 66091312
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 104644680
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 66091400) is 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(CCO)CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WQTRHQDCVMMTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(2-3-15)4-13-5-8(16)14-6-9(10,11)12/h7,13,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66091400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).