2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene

C28H27F3 — CID 139961493

IUPAC2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3cc(-c4ccc(CC)c(F)c4F)c(F)cc3C2)cc1
InChIInChI=1S/C28H27F3/c1-3-5-6-18-7-9-20(10-8-18)21-11-12-22-16-25(26(29)17-23(22)15-21)24-14-13-19(4-2)27(30)28(24)31/h7-11,13-14,16-17H,3-6,12,15H2,1-2H3
InChIKeyFJFCXZIMXUTBIK-UHFFFAOYSA-N
MW420.52 g/mol
LogP7.86
Rot. Bonds6

About 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene

2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene (PubChem CID 139961493) has the molecular formula C28H27F3 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
PubChem CID139961493
Molecular FormulaC28H27F3
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3cc(-c4ccc(CC)c(F)c4F)c(F)cc3C2)cc1
InChIInChI=1S/C28H27F3/c1-3-5-6-18-7-9-20(10-8-18)21-11-12-22-16-25(26(29)17-23(22)15-21)24-14-13-19(4-2)27(30)28(24)31/h7-11,13-14,16-17H,3-6,12,15H2,1-2H3
InChIKeyFJFCXZIMXUTBIK-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 57.86
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
2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961858
2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
CID 139961655
2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139961504
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene
CID 139961545
6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961587
2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961745
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
CID 139961245
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732
2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene
CID 139960733

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene (CID 139961493) is 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene is CCCCc1ccc(C2=CCc3cc(-c4ccc(CC)c(F)c4F)c(F)cc3C2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
The InChIKey is FJFCXZIMXUTBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3/c1-3-5-6-18-7-9-20(10-8-18)21-11-12-22-16-25(26(29)17-23(22)15-21)24-14-13-19(4-2)27(30)28(24)31/h7-11,13-14,16-17H,3-6,12,15H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene has a molecular weight of 420.52 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139961493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).