N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H16F3NO3 — CID 103820669

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CO)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-8(2,5-14)4-13-7(15)3-16-6-9(10,11)12/h14H,3-6H2,1-2H3,(H,13,15)
InChIKeyTZVBRAKHQPTDOB-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.70
Rot. Bonds6

About N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103820669) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103820669
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CO)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-8(2,5-14)4-13-7(15)3-16-6-9(10,11)12/h14H,3-6H2,1-2H3,(H,13,15)
InChIKeyTZVBRAKHQPTDOB-UHFFFAOYSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114149552
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113331571
N-(3,3-dimethyl-2-oxobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103867644
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954
N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212390
N-(5-hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103899562
N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113254236
N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103951564
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090
3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
CID 103206127
methyl 2-(2,2,2-trifluoroethoxy)acetate
CID 19381016

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103820669) is N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)(CO)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is TZVBRAKHQPTDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-8(2,5-14)4-13-7(15)3-16-6-9(10,11)12/h14H,3-6H2,1-2H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 243.22 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103820669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).