2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide

C8H5F4NO2 — CID 18696136

IUPAC2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
SMILESO=C(NO)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H5F4NO2/c9-6-4(7(14)13-15)2-1-3-5(6)8(10,11)12/h1-3,15H,(H,13,14)
InChIKeyASZLJRKXFCJMBM-UHFFFAOYSA-N
MW223.12 g/mol
LogP1.96
Rot. Bonds1

About 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide

2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide (PubChem CID 18696136) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
PubChem CID18696136
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
SMILESO=C(NO)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H5F4NO2/c9-6-4(7(14)13-15)2-1-3-5(6)8(10,11)12/h1-3,15H,(H,13,14)
InChIKeyASZLJRKXFCJMBM-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-(trifluoromethyl)benzoyl chloride
CID 2737559
2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82723802
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79884450
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
2-fluoro-N-(2-methylbut-3-yn-2-yl)-3-(trifluoromethyl)benzamide
CID 79885632
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
2-fluoro-N-(3-methylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 113252168
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
CID 79884389
N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 102674046

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide (CID 18696136) is 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide is O=C(NO)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide?
The InChIKey is ASZLJRKXFCJMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c9-6-4(7(14)13-15)2-1-3-5(6)8(10,11)12/h1-3,15H,(H,13,14).
What are the key properties of 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide?
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide has a molecular weight of 223.12 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 18696136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).