6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide

C14H20BrFN2O2 — CID 106711792

IUPAC6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOc1ccc(Br)cc1F)/C(N)=N/O
InChIInChI=1S/C14H20BrFN2O2/c1-14(2,13(17)18-19)7-3-4-8-20-12-6-5-10(15)9-11(12)16/h5-6,9,19H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyFZCYGCICGIJOFK-UHFFFAOYSA-N
MW347.23 g/mol
LogP3.91
Rot. Bonds7

About 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711792) has the molecular formula C14H20BrFN2O2 and a molecular weight of 347.23 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711792
Molecular FormulaC14H20BrFN2O2
Molecular Weight347.23 g/mol
Exact Mass346.07
IUPAC Name6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOc1ccc(Br)cc1F)/C(N)=N/O
InChIInChI=1S/C14H20BrFN2O2/c1-14(2,13(17)18-19)7-3-4-8-20-12-6-5-10(15)9-11(12)16/h5-6,9,19H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyFZCYGCICGIJOFK-UHFFFAOYSA-N
XLogP3.91
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

6-(2,4-dibromophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711858
6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711852
5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063274
5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
CID 54965707
6-(4-bromo-3-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711864
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711821
6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711855
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062624
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711792) is 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCOc1ccc(Br)cc1F)/C(N)=N/O.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is FZCYGCICGIJOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2/c1-14(2,13(17)18-19)7-3-4-8-20-12-6-5-10(15)9-11(12)16/h5-6,9,19H,3-4,7-8H2,1-2H3,(H2,17,18).
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 347.23 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).