N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide

C7H6F3NO2 — CID 175305359

IUPACN-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide
SMILES[O-][N+](O)=C1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-3H,4H2,(H,12,13)
InChIKeyJVHCHGIEFWDLRC-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.78
Rot. Bonds

About N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide

N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide (PubChem CID 175305359) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide.

Molecular Properties

Compound NameN-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide
PubChem CID175305359
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC NameN-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide
SMILES[O-][N+](O)=C1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-3H,4H2,(H,12,13)
InChIKeyJVHCHGIEFWDLRC-UHFFFAOYSA-N
XLogP1.78
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide?
The IUPAC name of N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide (CID 175305359) is N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide.
What is the SMILES notation for N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide?
The canonical SMILES for N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide is [O-][N+](O)=C1C=CC=C(C(F)(F)F)C1.
What is the InChIKey of N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide?
The InChIKey is JVHCHGIEFWDLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-3H,4H2,(H,12,13).
What are the key properties of N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide?
N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide has a molecular weight of 193.12 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-imine oxide is sourced from PubChem (CID 175305359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).