2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide

C8H6F3NO2 — CID 63076320

IUPAC2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide
SMILESNC(=O)C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H6F3NO2/c9-4-1-3(7(13)8(12)14)2-5(10)6(4)11/h1-2,7,13H,(H2,12,14)
InChIKeyBAYJBBDFQUYPSK-UHFFFAOYSA-N
MW205.13 g/mol
LogP0.62
Rot. Bonds2

About 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide

2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide (PubChem CID 63076320) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide
PubChem CID63076320
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide
SMILESNC(=O)C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H6F3NO2/c9-4-1-3(7(13)8(12)14)2-5(10)6(4)11/h1-2,7,13H,(H2,12,14)
InChIKeyBAYJBBDFQUYPSK-UHFFFAOYSA-N
XLogP0.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide (CID 63076320) is 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide is NC(=O)C(O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is BAYJBBDFQUYPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-4-1-3(7(13)8(12)14)2-5(10)6(4)11/h1-2,7,13H,(H2,12,14).
What are the key properties of 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide?
2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 205.13 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 63076320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).