2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C13H16F3NO3 — CID 63650448

IUPAC2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc([C@@H](C)O)c(OCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-8-3-4-10(9(2)18)11(5-8)20-6-12(19)17-7-13(14,15)16/h3-5,9,18H,6-7H2,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyORRIFKBSANQCOO-SECBINFHSA-N
MW291.27 g/mol
LogP2.11
Rot. Bonds5

About 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63650448) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63650448
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc([C@@H](C)O)c(OCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-8-3-4-10(9(2)18)11(5-8)20-6-12(19)17-7-13(14,15)16/h3-5,9,18H,6-7H2,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyORRIFKBSANQCOO-SECBINFHSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78947410
2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60701199
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63651171
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78935841
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78933804
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 63651841
5-methyl-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzenesulfonyl chloride
CID 82911879
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 63650448) is 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc([C@@H](C)O)c(OCC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ORRIFKBSANQCOO-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-8-3-4-10(9(2)18)11(5-8)20-6-12(19)17-7-13(14,15)16/h3-5,9,18H,6-7H2,1-2H3,(H,17,19)/t9-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 291.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63650448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).