2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide

C9H7F3N2O4 — CID 15480130

IUPAC2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)C(F)(F)F)ccc(O)c1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O4/c1-4-5(13-8(16)9(10,11)12)2-3-6(15)7(4)14(17)18/h2-3,15H,1H3,(H,13,16)
InChIKeyIYMBOMFCHNJZMQ-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.11
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide

2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide (PubChem CID 15480130) has the molecular formula C9H7F3N2O4 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide
PubChem CID15480130
Molecular FormulaC9H7F3N2O4
Molecular Weight264.16 g/mol
Exact Mass264.04
IUPAC Name2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)C(F)(F)F)ccc(O)c1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O4/c1-4-5(13-8(16)9(10,11)12)2-3-6(15)7(4)14(17)18/h2-3,15H,1H3,(H,13,16)
InChIKeyIYMBOMFCHNJZMQ-UHFFFAOYSA-N
XLogP2.11
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid
CID 174969971
2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 175043157
methyl 4-hydroxy-2-methyl-3-nitrobenzoate
CID 141461433
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
4-hydroxy-2-methyl-3-nitrobenzamide
CID 20981195
2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
CID 62726523
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide
CID 141000827
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide
CID 15688157
2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide
CID 103731946

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide (CID 15480130) is 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)C(F)(F)F)ccc(O)c1[N+](=O)[O-].
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide?
The InChIKey is IYMBOMFCHNJZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O4/c1-4-5(13-8(16)9(10,11)12)2-3-6(15)7(4)14(17)18/h2-3,15H,1H3,(H,13,16).
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide?
2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide has a molecular weight of 264.16 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 15480130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).