2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene

C26H24F2 — CID 139961504

IUPAC2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3cc(-c4ccc(F)cc4)c(F)cc3C2)cc1
InChIInChI=1S/C26H24F2/c1-2-3-4-18-5-7-19(8-6-18)21-9-10-22-16-25(26(28)17-23(22)15-21)20-11-13-24(27)14-12-20/h5-9,11-14,16-17H,2-4,10,15H2,1H3
InChIKeyXBJRNMITNSGJKX-UHFFFAOYSA-N
MW374.47 g/mol
LogP7.16
Rot. Bonds5

About 2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene

2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene (PubChem CID 139961504) has the molecular formula C26H24F2 and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
PubChem CID139961504
Molecular FormulaC26H24F2
Molecular Weight374.47 g/mol
Exact Mass374.18
IUPAC Name2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3cc(-c4ccc(F)cc4)c(F)cc3C2)cc1
InChIInChI=1S/C26H24F2/c1-2-3-4-18-5-7-19(8-6-18)21-9-10-22-16-25(26(28)17-23(22)15-21)20-11-13-24(27)14-12-20/h5-9,11-14,16-17H,2-4,10,15H2,1H3
InChIKeyXBJRNMITNSGJKX-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961496
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-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961745
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961869
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732
2-butyl-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961543
7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
CID 139883454
7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
CID 139883423
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene (CID 139961504) is 2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene is CCCCc1ccc(C2=CCc3cc(-c4ccc(F)cc4)c(F)cc3C2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene?
The InChIKey is XBJRNMITNSGJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2/c1-2-3-4-18-5-7-19(8-6-18)21-9-10-22-16-25(26(28)17-23(22)15-21)20-11-13-24(27)14-12-20/h5-9,11-14,16-17H,2-4,10,15H2,1H3.
What are the key properties of 2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene?
2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene has a molecular weight of 374.47 g/mol, XLogP of 7.16, 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-(4-fluorophenyl)-1,4-dihydronaphthalene is sourced from PubChem (CID 139961504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).