2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide

C8H5F4NO2 — CID 15688157

IUPAC2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide
SMILESO=C(Nc1cc(F)ccc1O)C(F)(F)F
InChIInChI=1S/C8H5F4NO2/c9-4-1-2-6(14)5(3-4)13-7(15)8(10,11)12/h1-3,14H,(H,13,15)
InChIKeyZPGMBNMIELOUBK-UHFFFAOYSA-N
MW223.12 g/mol
LogP2.03
Rot. Bonds1

About 2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide

2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide (PubChem CID 15688157) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide
PubChem CID15688157
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide
SMILESO=C(Nc1cc(F)ccc1O)C(F)(F)F
InChIInChI=1S/C8H5F4NO2/c9-4-1-2-6(14)5(3-4)13-7(15)8(10,11)12/h1-3,14H,(H,13,15)
InChIKeyZPGMBNMIELOUBK-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 108753851
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 39184054
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate
CID 12803552
N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
CID 130674064
3-N-(5-fluoro-2-hydroxyphenyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71863070
N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 118215209
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386
N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide
CID 107625596

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide (CID 15688157) is 2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide is O=C(Nc1cc(F)ccc1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide?
The InChIKey is ZPGMBNMIELOUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c9-4-1-2-6(14)5(3-4)13-7(15)8(10,11)12/h1-3,14H,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide?
2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide has a molecular weight of 223.12 g/mol, XLogP of 2.03, 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-fluoro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 15688157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).