2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene

C12H5F7O — CID 12954352

IUPAC2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
SMILESCCOc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C12H5F7O/c1-2-20-12-8(16)4-3(7(15)11(12)19)5(13)9(17)10(18)6(4)14/h2H2,1H3
InChIKeyBOYVYDOXNFCYGF-UHFFFAOYSA-N
MW298.16 g/mol
LogP4.21
Rot. Bonds2

About 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene

2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene (PubChem CID 12954352) has the molecular formula C12H5F7O and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene.

Molecular Properties

Compound Name2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
PubChem CID12954352
Molecular FormulaC12H5F7O
Molecular Weight298.16 g/mol
Exact Mass298.02
IUPAC Name2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
SMILESCCOc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C12H5F7O/c1-2-20-12-8(16)4-3(7(15)11(12)19)5(13)9(17)10(18)6(4)14/h2H2,1H3
InChIKeyBOYVYDOXNFCYGF-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 54.21
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'}

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Related Compounds

2-Ethoxynaphthalene
CID 7129
2-(2-Methylpropoxy)naphthalene
CID 16582
Butyl beta-naphthyl ether
CID 82664
4,4'-Dimethoxyoctafluorobiphenyl
CID 262954
2-Naphthyl propyl ether
CID 243587
Naphthalene, 2-(2-fluoroethoxy)-
CID 9463
2-(Propan-2-yloxy)naphthalene
CID 285102
2-(Difluoromethoxy)naphthalene
CID 1519585
1-Fluoro-2-methoxynaphthalene
CID 12656105
1,2,3,4,5,6,8-Heptafluoro-7-methoxynaphthalene
CID 12954351
2-Fluoro-7-methoxynaphthalene
CID 21677957
2-(Pentyloxy)naphthalene
CID 263053

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene?
The IUPAC name of 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene (CID 12954352) is 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene.
What is the SMILES notation for 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene?
The canonical SMILES for 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene is CCOc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.
What is the InChIKey of 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene?
The InChIKey is BOYVYDOXNFCYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F7O/c1-2-20-12-8(16)4-3(7(15)11(12)19)5(13)9(17)10(18)6(4)14/h2H2,1H3.
What are the key properties of 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene?
2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene has a molecular weight of 298.16 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene is sourced from PubChem (CID 12954352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).