6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde

C13H11FO2 — CID 58518892

IUPAC6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1cccc2cc(OCC[18F])ccc12
InChIInChI=1S/C13H11FO2/c14-6-7-16-12-4-5-13-10(8-12)2-1-3-11(13)9-15/h1-5,8-9H,6-7H2/i14-1
InChIKeyFYTUGYKIFKGFDK-UMSOTBISSA-N
MW217.23 g/mol
LogP3.00
Rot. Bonds4

About 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde

6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde (PubChem CID 58518892) has the molecular formula C13H11FO2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde
PubChem CID58518892
Molecular FormulaC13H11FO2
Molecular Weight217.23 g/mol
Exact Mass217.08
IUPAC Name6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1cccc2cc(OCC[18F])ccc12
InChIInChI=1S/C13H11FO2/c14-6-7-16-12-4-5-13-10(8-12)2-1-3-11(13)9-15/h1-5,8-9H,6-7H2/i14-1
InChIKeyFYTUGYKIFKGFDK-UMSOTBISSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Nabumetone
CID 4409
Beta-Naphthoflavone
CID 2361
3-Phenoxybenzaldehyde
CID 38284
Cra 13
CID 9799417
6-Methoxy-alpha-tetralone
CID 14112
6-Methoxy-2-naphthaldehyde
CID 76991
2-(4-Ethoxybenzylidene)-1-tetralone
CID 5702490
2-Naphthyl benzoate
CID 66734
1-(6-Methoxy-2-naphthalenyl)-1-propanone
CID 75913
6-Methoxy-2-Naphthoic Acid
CID 349181
6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one
CID 10682241
Benzaldehyde, 4-(phenylmethoxy)-
CID 78109

Frequently Asked Questions

What is the IUPAC name of 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde (CID 58518892) is 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde is O=Cc1cccc2cc(OCC[18F])ccc12.
What is the InChIKey of 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde?
The InChIKey is FYTUGYKIFKGFDK-UMSOTBISSA-N. The full InChI is InChI=1S/C13H11FO2/c14-6-7-16-12-4-5-13-10(8-12)2-1-3-11(13)9-15/h1-5,8-9H,6-7H2/i14-1.
What are the key properties of 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde?
6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde has a molecular weight of 217.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 58518892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).