1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene

C11H3F7O — CID 12954351

IUPAC1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene
SMILESCOc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C11H3F7O/c1-19-11-7(15)3-2(6(14)10(11)18)4(12)8(16)9(17)5(3)13/h1H3
InChIKeyOSTYUBBZEOIQGG-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.82
Rot. Bonds1

About 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene

1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene (PubChem CID 12954351) has the molecular formula C11H3F7O and a molecular weight of 284.13 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene
PubChem CID12954351
Molecular FormulaC11H3F7O
Molecular Weight284.13 g/mol
Exact Mass284.01
IUPAC Name1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene
SMILESCOc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C11H3F7O/c1-19-11-7(15)3-2(6(14)10(11)18)4(12)8(16)9(17)5(3)13/h1H3
InChIKeyOSTYUBBZEOIQGG-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene?
The IUPAC name of 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene (CID 12954351) is 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene.
What is the SMILES notation for 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene?
The canonical SMILES for 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene is COc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.
What is the InChIKey of 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene?
The InChIKey is OSTYUBBZEOIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F7O/c1-19-11-7(15)3-2(6(14)10(11)18)4(12)8(16)9(17)5(3)13/h1H3.
What are the key properties of 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene?
1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene has a molecular weight of 284.13 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptafluoro-7-methoxynaphthalene is sourced from PubChem (CID 12954351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).