2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene

C26H22F4 — CID 139961496

IUPAC2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3cc(-c4cc(F)c(F)c(F)c4)c(F)cc3C2)cc1
InChIInChI=1S/C26H22F4/c1-2-3-4-16-5-7-17(8-6-16)18-9-10-19-12-22(23(27)13-20(19)11-18)21-14-24(28)26(30)25(29)15-21/h5-9,12-15H,2-4,10-11H2,1H3
InChIKeyFOGAIBBNTSYKIH-UHFFFAOYSA-N
MW410.45 g/mol
LogP7.43
Rot. Bonds5

About 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene

2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene (PubChem CID 139961496) has the molecular formula C26H22F4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
PubChem CID139961496
Molecular FormulaC26H22F4
Molecular Weight410.45 g/mol
Exact Mass410.17
IUPAC Name2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3cc(-c4cc(F)c(F)c(F)c4)c(F)cc3C2)cc1
InChIInChI=1S/C26H22F4/c1-2-3-4-16-5-7-17(8-6-16)18-9-10-19-12-22(23(27)13-20(19)11-18)21-14-24(28)26(30)25(29)15-21/h5-9,12-15H,2-4,10-11H2,1H3
InChIKeyFOGAIBBNTSYKIH-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139961504
2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961745
2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
CID 139961655
2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961493
2-butyl-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961543
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
5-[4-[4-(4-butylphenyl)-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]benzene
CID 144696214
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
CID 139948811
2-(2,6-difluoro-4-pentylphenyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960805
2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene
CID 139961670

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene (CID 139961496) is 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene is CCCCc1ccc(C2=CCc3cc(-c4cc(F)c(F)c(F)c4)c(F)cc3C2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
The InChIKey is FOGAIBBNTSYKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4/c1-2-3-4-16-5-7-17(8-6-16)18-9-10-19-12-22(23(27)13-20(19)11-18)21-14-24(28)26(30)25(29)15-21/h5-9,12-15H,2-4,10-11H2,1H3.
What are the key properties of 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene has a molecular weight of 410.45 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene is sourced from PubChem (CID 139961496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).