N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

C10H9ClFNO — CID 86755441

IUPACN-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESON=C1CCCc2c(F)cc(Cl)cc21
InChIInChI=1S/C10H9ClFNO/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13-14/h4-5,14H,1-3H2
InChIKeyPEZNSUIOSDTMKJ-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.99
Rot. Bonds

About N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 86755441) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID86755441
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC NameN-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESON=C1CCCc2c(F)cc(Cl)cc21
InChIInChI=1S/C10H9ClFNO/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13-14/h4-5,14H,1-3H2
InChIKeyPEZNSUIOSDTMKJ-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 86755441) is N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is ON=C1CCCc2c(F)cc(Cl)cc21.
What is the InChIKey of N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is PEZNSUIOSDTMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13-14/h4-5,14H,1-3H2.
What are the key properties of N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
N-(7-chloro-5-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 N-(7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 86755441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).