1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene

C17H18F2O2 — CID 58719049

IUPAC1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene
SMILESC/C=C/CCc1ccc2c(F)c(OCOC)cc(F)c2c1
InChIInChI=1S/C17H18F2O2/c1-3-4-5-6-12-7-8-13-14(9-12)15(18)10-16(17(13)19)21-11-20-2/h3-4,7-10H,5-6,11H2,1-2H3/b4-3+
InChIKeyOOLGINNOOSTAQC-ONEGZZNKSA-N
MW292.33 g/mol
LogP4.61
Rot. Bonds6

About 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene

1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene (PubChem CID 58719049) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene.

Molecular Properties

Compound Name1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene
PubChem CID58719049
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene
SMILESC/C=C/CCc1ccc2c(F)c(OCOC)cc(F)c2c1
InChIInChI=1S/C17H18F2O2/c1-3-4-5-6-12-7-8-13-14(9-12)15(18)10-16(17(13)19)21-11-20-2/h3-4,7-10H,5-6,11H2,1-2H3/b4-3+
InChIKeyOOLGINNOOSTAQC-ONEGZZNKSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene?
The IUPAC name of 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene (CID 58719049) is 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene.
What is the SMILES notation for 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene?
The canonical SMILES for 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene is C/C=C/CCc1ccc2c(F)c(OCOC)cc(F)c2c1.
What is the InChIKey of 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene?
The InChIKey is OOLGINNOOSTAQC-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-3-4-5-6-12-7-8-13-14(9-12)15(18)10-16(17(13)19)21-11-20-2/h3-4,7-10H,5-6,11H2,1-2H3/b4-3+.
What are the key properties of 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene?
1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene has a molecular weight of 292.33 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-(methoxymethoxy)-6-[(E)-pent-3-enyl]naphthalene is sourced from PubChem (CID 58719049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).