2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene

C16H16F2O3 — CID 56837743

IUPAC2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene
SMILESCOCCOCOC(=C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C16H16F2O3/c1-19-8-9-20-11-21-15(16(17)18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3
InChIKeyZLJYMRDMJXRIOD-UHFFFAOYSA-N
MW294.30 g/mol
LogP4.04
Rot. Bonds7

About 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene

2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene (PubChem CID 56837743) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene.

Molecular Properties

Compound Name2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene
PubChem CID56837743
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene
SMILESCOCCOCOC(=C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C16H16F2O3/c1-19-8-9-20-11-21-15(16(17)18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3
InChIKeyZLJYMRDMJXRIOD-UHFFFAOYSA-N
XLogP4.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene?
The IUPAC name of 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene (CID 56837743) is 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene.
What is the SMILES notation for 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene?
The canonical SMILES for 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene is COCCOCOC(=C(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene?
The InChIKey is ZLJYMRDMJXRIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-19-8-9-20-11-21-15(16(17)18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene?
2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene has a molecular weight of 294.30 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene is sourced from PubChem (CID 56837743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).