2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide

C11H12F3NO2 — CID 19014060

IUPAC2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(O)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(15-10(17)11(12,13)14)6-8-2-4-9(16)5-3-8/h2-5,7,16H,6H2,1H3,(H,15,17)
InChIKeyPUQDKPJTAVCLBS-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.00
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide

2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide (PubChem CID 19014060) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide
PubChem CID19014060
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(O)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(15-10(17)11(12,13)14)6-8-2-4-9(16)5-3-8/h2-5,7,16H,6H2,1H3,(H,15,17)
InChIKeyPUQDKPJTAVCLBS-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide (CID 19014060) is 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide is CC(Cc1ccc(O)cc1)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide?
The InChIKey is PUQDKPJTAVCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7(15-10(17)11(12,13)14)6-8-2-4-9(16)5-3-8/h2-5,7,16H,6H2,1H3,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide?
2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide has a molecular weight of 247.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 19014060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).