(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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Related Compounds

Chroman-4-one oxime
CID 9673039
9H-Fluoren-9-one, 2,7-bis(2-propenyloxy)-, oxime
CID 3945141
2-[(2-Fluorobenzyl)oxy]benzaldehyde oxime
CID 6898163
(NE)-N-(2-phenylbenzo[h]chromen-4-ylidene)hydroxylamine
CID 155510681
2-(Allyloxy)-1-naphthaldehyde oxime
CID 9581792
(3Z)-1-benzofuran-3(2H)-one oxime
CID 15562109
4H-1-Benzopyran-4-one, 2,3-dihydro-, oxime
CID 4486698
6-Methoxy-1-tetralone oxime
CID 5216162
N-(2-phenyl-8-prop-2-enylchromen-4-ylidene)hydroxylamine
CID 49831023
(NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine
CID 122179750
(NZ)-N-(2-naphthalen-2-yloxy-1-phenylethylidene)hydroxylamine
CID 122179761
(NZ)-N-[1-(4-fluorophenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine
CID 122179762

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).