2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene

C18H18F2 — CID 139852706

IUPAC2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2cc(-c3ccc(F)cc3)c(F)cc2C1
InChIInChI=1S/C18H18F2/c1-2-12-3-4-14-10-17(18(20)11-15(14)9-12)13-5-7-16(19)8-6-13/h5-8,10-12H,2-4,9H2,1H3
InChIKeyJBJRZRGNBBDIFS-UHFFFAOYSA-N
MW272.34 g/mol
LogP5.15
Rot. Bonds2

About 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene

2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852706) has the molecular formula C18H18F2 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139852706
Molecular FormulaC18H18F2
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2cc(-c3ccc(F)cc3)c(F)cc2C1
InChIInChI=1S/C18H18F2/c1-2-12-3-4-14-10-17(18(20)11-15(14)9-12)13-5-7-16(19)8-6-13/h5-8,10-12H,2-4,9H2,1H3
InChIKeyJBJRZRGNBBDIFS-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.34
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene (CID 139852706) is 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene is CCC1CCc2cc(-c3ccc(F)cc3)c(F)cc2C1.
What is the InChIKey of 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JBJRZRGNBBDIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2/c1-2-12-3-4-14-10-17(18(20)11-15(14)9-12)13-5-7-16(19)8-6-13/h5-8,10-12H,2-4,9H2,1H3.
What are the key properties of 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 272.34 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).