6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide

C14H20FN3O3 — CID 106712487

IUPAC6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20FN3O3/c1-14(2,13(16)17)8-3-4-9-21-12-10(15)6-5-7-11(12)18(19)20/h5-7H,3-4,8-9H2,1-2H3,(H3,16,17)
InChIKeyKSFCFTBJPHXRIF-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.25
Rot. Bonds8

About 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide

6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide (PubChem CID 106712487) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide
PubChem CID106712487
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20FN3O3/c1-14(2,13(16)17)8-3-4-9-21-12-10(15)6-5-7-11(12)18(19)20/h5-7H,3-4,8-9H2,1-2H3,(H3,16,17)
InChIKeyKSFCFTBJPHXRIF-UHFFFAOYSA-N
XLogP3.25
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 104832230
6-(4-bromo-2-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712456
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
CID 106712403
5-(2,5-difluoro-4-nitrophenoxy)-2,2-dimethylpentanimidamide
CID 65258662
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 65258216
4-(5-fluoro-2-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 65251842
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide
CID 104832483
1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 114496129
4-(2,4-dimethyl-6-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 65251788
2-but-3-ynoxy-1-fluoro-3-nitrobenzene
CID 104832240

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide (CID 106712487) is 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide?
The InChIKey is KSFCFTBJPHXRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-14(2,13(16)17)8-3-4-9-21-12-10(15)6-5-7-11(12)18(19)20/h5-7H,3-4,8-9H2,1-2H3,(H3,16,17).
What are the key properties of 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide?
6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide has a molecular weight of 297.33 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).