3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene

C26H23F3 — CID 139951883

IUPAC3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
SMILESCCCCc1ccc(C2=Cc3cc(F)c(-c4ccc(F)cc4)c(F)c3CC2)cc1
InChIInChI=1S/C26H23F3/c1-2-3-4-17-5-7-18(8-6-17)20-11-14-23-21(15-20)16-24(28)25(26(23)29)19-9-12-22(27)13-10-19/h5-10,12-13,15-16H,2-4,11,14H2,1H3
InChIKeyHHDNVMSFTMAHIL-UHFFFAOYSA-N
MW392.46 g/mol
LogP7.60
Rot. Bonds5

About 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene

3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene (PubChem CID 139951883) has the molecular formula C26H23F3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
PubChem CID139951883
Molecular FormulaC26H23F3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
SMILESCCCCc1ccc(C2=Cc3cc(F)c(-c4ccc(F)cc4)c(F)c3CC2)cc1
InChIInChI=1S/C26H23F3/c1-2-3-4-17-5-7-18(8-6-17)20-11-14-23-21(15-20)16-24(28)25(26(23)29)19-9-12-22(27)13-10-19/h5-10,12-13,15-16H,2-4,11,14H2,1H3
InChIKeyHHDNVMSFTMAHIL-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7,8-difluoro-3-(4-pentylphenyl)-1,2-dihydronaphthalene
CID 139960274
3-(4-butylphenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961229
6,8-difluoro-3-(4-pentylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139952155
6,8-difluoro-7-(4-fluorophenyl)-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139952031
6,8-difluoro-3-(2-fluoro-4-pentylphenyl)-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139952140
3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
CID 139951874
6,8-difluoro-3-heptyl-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
CID 139952245
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
2-butyl-5,7-difluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139948913
3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961103
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pentyl-1,2-dihydronaphthalene
CID 139952098
3-(4-butylphenyl)-7-fluoro-1,2-dihydronaphthalene;3-(4-ethylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene;7-fluoro-3-(4-pentylphenyl)-1,2-dihydronaphthalene
CID 158815759

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene (CID 139951883) is 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene is CCCCc1ccc(C2=Cc3cc(F)c(-c4ccc(F)cc4)c(F)c3CC2)cc1.
What is the InChIKey of 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene?
The InChIKey is HHDNVMSFTMAHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3/c1-2-3-4-17-5-7-18(8-6-17)20-11-14-23-21(15-20)16-24(28)25(26(23)29)19-9-12-22(27)13-10-19/h5-10,12-13,15-16H,2-4,11,14H2,1H3.
What are the key properties of 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene?
3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene has a molecular weight of 392.46 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 139951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).