1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene

C15H17FO2 — CID 58718919

IUPAC1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene
SMILESCCCc1ccc2c(F)c(OCOC)ccc2c1
InChIInChI=1S/C15H17FO2/c1-3-4-11-5-7-13-12(9-11)6-8-14(15(13)16)18-10-17-2/h5-9H,3-4,10H2,1-2H3
InChIKeyPVNXRJOQZAHOQL-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.91
Rot. Bonds5

About 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene

1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene (PubChem CID 58718919) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene.

Molecular Properties

Compound Name1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene
PubChem CID58718919
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene
SMILESCCCc1ccc2c(F)c(OCOC)ccc2c1
InChIInChI=1S/C15H17FO2/c1-3-4-11-5-7-13-12(9-11)6-8-14(15(13)16)18-10-17-2/h5-9H,3-4,10H2,1-2H3
InChIKeyPVNXRJOQZAHOQL-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene?
The IUPAC name of 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene (CID 58718919) is 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene.
What is the SMILES notation for 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene?
The canonical SMILES for 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene is CCCc1ccc2c(F)c(OCOC)ccc2c1.
What is the InChIKey of 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene?
The InChIKey is PVNXRJOQZAHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-3-4-11-5-7-13-12(9-11)6-8-14(15(13)16)18-10-17-2/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene?
1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene has a molecular weight of 248.30 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(methoxymethoxy)-6-propylnaphthalene is sourced from PubChem (CID 58718919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).