2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide

C9H8F3NO2 — CID 23181762

IUPAC2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide
SMILESCc1ccc(O)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c1-5-2-3-6(14)4-7(5)13-8(15)9(10,11)12/h2-4,14H,1H3,(H,13,15)
InChIKeyRNOFGUMWATXCIM-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.20
Rot. Bonds1

About 2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide

2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide (PubChem CID 23181762) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide
PubChem CID23181762
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide
SMILESCc1ccc(O)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c1-5-2-3-6(14)4-7(5)13-8(15)9(10,11)12/h2-4,14H,1H3,(H,13,15)
InChIKeyRNOFGUMWATXCIM-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.20
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-(5-hydroxy-2-methylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide (CID 23181762) is 2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide is Cc1ccc(O)cc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide?
The InChIKey is RNOFGUMWATXCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-5-2-3-6(14)4-7(5)13-8(15)9(10,11)12/h2-4,14H,1H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide?
2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide has a molecular weight of 219.16 g/mol, XLogP of 2.20, 1 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-(5-hydroxy-2-methylphenyl)acetamide is sourced from PubChem (CID 23181762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).