2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C13H16F3NO2 — CID 39951739

IUPAC2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(2)10-3-5-11(6-4-10)19-7-12(18)17-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyBMXVKCFOUBYPML-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.87
Rot. Bonds5

About 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 39951739) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID39951739
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(2)10-3-5-11(6-4-10)19-7-12(18)17-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyBMXVKCFOUBYPML-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492639
2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 66172185
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81339847
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 90499307
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 122243927
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 112776801
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 39951739) is 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)c1ccc(OCC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BMXVKCFOUBYPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(2)10-3-5-11(6-4-10)19-7-12(18)17-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 39951739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).