2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene

C24H18F6 — CID 139852466

IUPAC2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCc1cc(F)c(C2CCc3c(F)c(-c4ccc(F)cc4)c(F)c(F)c3C2)c(F)c1
InChIInChI=1S/C24H18F6/c1-2-12-9-18(26)20(19(27)10-12)14-5-8-16-17(11-14)23(29)24(30)21(22(16)28)13-3-6-15(25)7-4-13/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3
InChIKeyBWTQBJIOCKZBSQ-UHFFFAOYSA-N
MW420.40 g/mol
LogP7.02
Rot. Bonds3

About 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene

2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852466) has the molecular formula C24H18F6 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139852466
Molecular FormulaC24H18F6
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCc1cc(F)c(C2CCc3c(F)c(-c4ccc(F)cc4)c(F)c(F)c3C2)c(F)c1
InChIInChI=1S/C24H18F6/c1-2-12-9-18(26)20(19(27)10-12)14-5-8-16-17(11-14)23(29)24(30)21(22(16)28)13-3-6-15(25)7-4-13/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3
InChIKeyBWTQBJIOCKZBSQ-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.40
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853416
2-(4-ethyl-2-fluorophenyl)-5,7,8-trifluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852049
2-(4-butyl-2-fluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853695
2-(4-ethyl-2,3-difluorophenyl)-5,7,8-trifluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139853026
2-cyclopropyl-5-ethyl-1,3-difluorobenzene
CID 171097226
2-(4-butyl-2,3-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852198
2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853244
2-(2,6-difluoro-4-pentylphenyl)-5,7-difluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853393
2-(4-butyl-2,6-difluorophenyl)-5-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852567
3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
CID 139951874
2-(2,6-difluoro-4-pentylphenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139847987
1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene
CID 21134485

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene (CID 139852466) is 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene is CCc1cc(F)c(C2CCc3c(F)c(-c4ccc(F)cc4)c(F)c(F)c3C2)c(F)c1.
What is the InChIKey of 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BWTQBJIOCKZBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6/c1-2-12-9-18(26)20(19(27)10-12)14-5-8-16-17(11-14)23(29)24(30)21(22(16)28)13-3-6-15(25)7-4-13/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3.
What are the key properties of 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 420.40 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).