(NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

C10H11FN2O — CID 59862340

IUPAC(NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESNc1ccc2c(c1F)CCC/C2=N\O
InChIInChI=1S/C10H11FN2O/c11-10-7-2-1-3-9(13-14)6(7)4-5-8(10)12/h4-5,14H,1-3,12H2/b13-9+
InChIKeyWONOSLJYURJFRE-UKTHLTGXSA-N
MW194.21 g/mol
LogP1.92
Rot. Bonds

About (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

(NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 59862340) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID59862340
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESNc1ccc2c(c1F)CCC/C2=N\O
InChIInChI=1S/C10H11FN2O/c11-10-7-2-1-3-9(13-14)6(7)4-5-8(10)12/h4-5,14H,1-3,12H2/b13-9+
InChIKeyWONOSLJYURJFRE-UKTHLTGXSA-N
XLogP1.92
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 59862340) is (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is Nc1ccc2c(c1F)CCC/C2=N\O.
What is the InChIKey of (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is WONOSLJYURJFRE-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-10-7-2-1-3-9(13-14)6(7)4-5-8(10)12/h4-5,14H,1-3,12H2/b13-9+.
What are the key properties of (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 194.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 59862340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).