N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide

C9H8F3NO3 — CID 10823626

IUPACN-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1cc(O)ccc1O
InChIInChI=1S/C9H8F3NO3/c1-13(8(16)9(10,11)12)6-4-5(14)2-3-7(6)15/h2-4,14-15H,1H3
InChIKeyPXAWSNZVZYRJQI-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.62
Rot. Bonds1

About N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide

N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 10823626) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID10823626
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC NameN-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1cc(O)ccc1O
InChIInChI=1S/C9H8F3NO3/c1-13(8(16)9(10,11)12)6-4-5(14)2-3-7(6)15/h2-4,14-15H,1H3
InChIKeyPXAWSNZVZYRJQI-UHFFFAOYSA-N
XLogP1.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide (CID 10823626) is N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)c1cc(O)ccc1O.
What is the InChIKey of N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is PXAWSNZVZYRJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-13(8(16)9(10,11)12)6-4-5(14)2-3-7(6)15/h2-4,14-15H,1H3.
What are the key properties of N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 235.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 10823626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).