4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide

C10H9F3N2O2 — CID 87391037

IUPAC4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(/C=N\O)cc1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-14-9(16)8-3-1-7(2-4-8)5-15-17/h1-5,17H,6H2,(H,14,16)/b15-5-
InChIKeyIOZOGDFVGFQFDX-WCSRMQSCSA-N
MW246.19 g/mol
LogP1.79
Rot. Bonds3

About 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 87391037) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID87391037
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(/C=N\O)cc1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-14-9(16)8-3-1-7(2-4-8)5-15-17/h1-5,17H,6H2,(H,14,16)/b15-5-
InChIKeyIOZOGDFVGFQFDX-WCSRMQSCSA-N
XLogP1.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78791752
4-[(E)-hydroxyiminomethyl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 170943873
4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 178030416
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
4-(3-methylbut-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 30822215
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 2576736
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
4-cyclohexyl-N-(2,2,2-trifluoroethyl)benzamide
CID 8900200
4-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54922298
4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 119290874
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 87391037) is 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(/C=N\O)cc1.
What is the InChIKey of 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IOZOGDFVGFQFDX-WCSRMQSCSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)6-14-9(16)8-3-1-7(2-4-8)5-15-17/h1-5,17H,6H2,(H,14,16)/b15-5-.
What are the key properties of 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 246.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 87391037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).