(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C12H14FNO2 — CID 80696031

IUPAC(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESO/N=C1/CCCc2c(OCCF)cccc21
InChIInChI=1S/C12H14FNO2/c13-7-8-16-12-6-2-3-9-10(12)4-1-5-11(9)14-15/h2-3,6,15H,1,4-5,7-8H2/b14-11-
InChIKeyPBEGKLGFVGJPAH-KAMYIIQDSA-N
MW223.25 g/mol
LogP2.55
Rot. Bonds3

About (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 80696031) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID80696031
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESO/N=C1/CCCc2c(OCCF)cccc21
InChIInChI=1S/C12H14FNO2/c13-7-8-16-12-6-2-3-9-10(12)4-1-5-11(9)14-15/h2-3,6,15H,1,4-5,7-8H2/b14-11-
InChIKeyPBEGKLGFVGJPAH-KAMYIIQDSA-N
XLogP2.55
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 80696031) is (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is O/N=C1/CCCc2c(OCCF)cccc21.
What is the InChIKey of (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is PBEGKLGFVGJPAH-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-7-8-16-12-6-2-3-9-10(12)4-1-5-11(9)14-15/h2-3,6,15H,1,4-5,7-8H2/b14-11-.
What are the key properties of (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 223.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 80696031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).