1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene

C18H20F4 — CID 102187103

IUPAC1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene
SMILESCCc1c(CC)c(CC)c2c(F)c(F)c(F)c(F)c2c1CC
InChIInChI=1S/C18H20F4/c1-5-9-10(6-2)12(8-4)14-13(11(9)7-3)15(19)17(21)18(22)16(14)20/h5-8H2,1-4H3
InChIKeyQUCCYQJYBDTWJK-UHFFFAOYSA-N
MW312.35 g/mol
LogP5.65
Rot. Bonds4

About 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene

1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene (PubChem CID 102187103) has the molecular formula C18H20F4 and a molecular weight of 312.35 g/mol. Its IUPAC name is 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene.

Molecular Properties

Compound Name1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene
PubChem CID102187103
Molecular FormulaC18H20F4
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene
SMILESCCc1c(CC)c(CC)c2c(F)c(F)c(F)c(F)c2c1CC
InChIInChI=1S/C18H20F4/c1-5-9-10(6-2)12(8-4)14-13(11(9)7-3)15(19)17(21)18(22)16(14)20/h5-8H2,1-4H3
InChIKeyQUCCYQJYBDTWJK-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.35
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene?
The IUPAC name of 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene (CID 102187103) is 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene.
What is the SMILES notation for 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene?
The canonical SMILES for 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene is CCc1c(CC)c(CC)c2c(F)c(F)c(F)c(F)c2c1CC.
What is the InChIKey of 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene?
The InChIKey is QUCCYQJYBDTWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4/c1-5-9-10(6-2)12(8-4)14-13(11(9)7-3)15(19)17(21)18(22)16(14)20/h5-8H2,1-4H3.
What are the key properties of 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene?
1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene has a molecular weight of 312.35 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraethyl-5,6,7,8-tetrafluoronaphthalene is sourced from PubChem (CID 102187103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).