7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide

C11H12FNO — CID 163802359

IUPAC7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide
SMILESC/[N+]([O-])=C1/CCC=C2CC=C(F)C=C21
InChIInChI=1S/C11H12FNO/c1-13(14)11-4-2-3-8-5-6-9(12)7-10(8)11/h3,6-7H,2,4-5H2,1H3/b13-11+
InChIKeyNGBYLBUOQUCBGV-ACCUITESSA-N
MW193.22 g/mol
LogP2.47
Rot. Bonds

About 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide

7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide (PubChem CID 163802359) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide.

Molecular Properties

Compound Name7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide
PubChem CID163802359
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide
SMILESC/[N+]([O-])=C1/CCC=C2CC=C(F)C=C21
InChIInChI=1S/C11H12FNO/c1-13(14)11-4-2-3-8-5-6-9(12)7-10(8)11/h3,6-7H,2,4-5H2,1H3/b13-11+
InChIKeyNGBYLBUOQUCBGV-ACCUITESSA-N
XLogP2.47
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
CID 170395095
2-Methyl-1-oxido-2,6,7,8-tetrahydroquinolin-1-ium
CID 150315927

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide?
The IUPAC name of 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide (CID 163802359) is 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide.
What is the SMILES notation for 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide?
The canonical SMILES for 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide is C/[N+]([O-])=C1/CCC=C2CC=C(F)C=C21.
What is the InChIKey of 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide?
The InChIKey is NGBYLBUOQUCBGV-ACCUITESSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13(14)11-4-2-3-8-5-6-9(12)7-10(8)11/h3,6-7H,2,4-5H2,1H3/b13-11+.
What are the key properties of 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide?
7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide has a molecular weight of 193.22 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide is sourced from PubChem (CID 163802359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).