N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H16F3NO3 — CID 103209200

IUPACN-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CO)(NC(=O)COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO3/c1-12(8-18,10-5-3-2-4-6-10)17-11(19)7-20-9-13(14,15)16/h2-6,18H,7-9H2,1H3,(H,17,19)
InChIKeyRACUHJDGSSTTKA-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.59
Rot. Bonds6

About N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209200) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209200
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CO)(NC(=O)COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO3/c1-12(8-18,10-5-3-2-4-6-10)17-11(19)7-20-9-13(14,15)16/h2-6,18H,7-9H2,1H3,(H,17,19)
InChIKeyRACUHJDGSSTTKA-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209200) is N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(CO)(NC(=O)COCC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is RACUHJDGSSTTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-12(8-18,10-5-3-2-4-6-10)17-11(19)7-20-9-13(14,15)16/h2-6,18H,7-9H2,1H3,(H,17,19).
What are the key properties of N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).