(Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium

C11H21F2N3O2 — CID 70675506

IUPAC(Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium
SMILESCN(/[N+]([O-])=N/OC1CCC(F)(F)CC1)C(C)(C)C
InChIInChI=1S/C11H21F2N3O2/c1-10(2,3)15(4)16(17)14-18-9-5-7-11(12,13)8-6-9/h9H,5-8H2,1-4H3/b16-14-
InChIKeyKEHQGUURZHUXDD-PEZBUJJGSA-N
MW265.30 g/mol
LogP3.10
Rot. Bonds3

About (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium

(Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium (PubChem CID 70675506) has the molecular formula C11H21F2N3O2 and a molecular weight of 265.30 g/mol. Its IUPAC name is (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium
PubChem CID70675506
Molecular FormulaC11H21F2N3O2
Molecular Weight265.30 g/mol
Exact Mass265.16
IUPAC Name(Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium
SMILESCN(/[N+]([O-])=N/OC1CCC(F)(F)CC1)C(C)(C)C
InChIInChI=1S/C11H21F2N3O2/c1-10(2,3)15(4)16(17)14-18-9-5-7-11(12,13)8-6-9/h9H,5-8H2,1-4H3/b16-14-
InChIKeyKEHQGUURZHUXDD-PEZBUJJGSA-N
XLogP3.10
TPSA50.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium?
The IUPAC name of (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium (CID 70675506) is (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium.
What is the SMILES notation for (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium?
The canonical SMILES for (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium is CN(/[N+]([O-])=N/OC1CCC(F)(F)CC1)C(C)(C)C.
What is the InChIKey of (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium?
The InChIKey is KEHQGUURZHUXDD-PEZBUJJGSA-N. The full InChI is InChI=1S/C11H21F2N3O2/c1-10(2,3)15(4)16(17)14-18-9-5-7-11(12,13)8-6-9/h9H,5-8H2,1-4H3/b16-14-.
What are the key properties of (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium?
(Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium has a molecular weight of 265.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[tert-butyl(methyl)amino]-(4,4-difluorocyclohexyl)oxyimino-oxidoazanium is sourced from PubChem (CID 70675506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).