(NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

C10H9ClFNO — CID 118557157

IUPAC(NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2cc(Cl)cc(F)c21
InChIInChI=1S/C10H9ClFNO/c11-7-4-6-2-1-3-9(13-14)10(6)8(12)5-7/h4-5,14H,1-3H2/b13-9+
InChIKeyPXOMPNKQCRXXQC-UKTHLTGXSA-N
MW213.64 g/mol
LogP2.99
Rot. Bonds

About (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

(NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 118557157) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID118557157
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name(NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2cc(Cl)cc(F)c21
InChIInChI=1S/C10H9ClFNO/c11-7-4-6-2-1-3-9(13-14)10(6)8(12)5-7/h4-5,14H,1-3H2/b13-9+
InChIKeyPXOMPNKQCRXXQC-UKTHLTGXSA-N
XLogP2.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.99
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'}

Analyze (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 118557157) is (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is O/N=C1\CCCc2cc(Cl)cc(F)c21.
What is the InChIKey of (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is PXOMPNKQCRXXQC-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-7-4-6-2-1-3-9(13-14)10(6)8(12)5-7/h4-5,14H,1-3H2/b13-9+.
What are the key properties of (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 213.64 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-chloro-8-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 118557157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).