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

C10H10FNO — CID 145095374

IUPAC(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2cc(F)ccc21
InChIInChI=1S/C10H10FNO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12-13/h4-6,13H,1-3H2/b12-10+
InChIKeySENHZFZRHBVFKU-ZRDIBKRKSA-N
MW179.19 g/mol
LogP2.34
Rot. Bonds

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

(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 145095374) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID145095374
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2cc(F)ccc21
InChIInChI=1S/C10H10FNO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12-13/h4-6,13H,1-3H2/b12-10+
InChIKeySENHZFZRHBVFKU-ZRDIBKRKSA-N
XLogP2.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 145095374) is (NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is O/N=C1\CCCc2cc(F)ccc21.
What is the InChIKey of (NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is SENHZFZRHBVFKU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H10FNO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12-13/h4-6,13H,1-3H2/b12-10+.
What are the key properties of (NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 179.19 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 145095374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).