3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene

C26H20F6O — CID 139960351

IUPAC3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
SMILESCCCc1cc(F)c(C2=Cc3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3CC2)c(F)c1
InChIInChI=1S/C26H20F6O/c1-2-3-15-12-22(27)24(23(28)13-15)18-7-11-21-17(14-18)6-10-20(25(21)29)16-4-8-19(9-5-16)33-26(30,31)32/h4-6,8-10,12-14H,2-3,7,11H2,1H3
InChIKeyQBPQDFGKZSOCSL-UHFFFAOYSA-N
MW462.43 g/mol
LogP8.11
Rot. Bonds5

About 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene

3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene (PubChem CID 139960351) has the molecular formula C26H20F6O and a molecular weight of 462.43 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
PubChem CID139960351
Molecular FormulaC26H20F6O
Molecular Weight462.43 g/mol
Exact Mass462.14
IUPAC Name3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
SMILESCCCc1cc(F)c(C2=Cc3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3CC2)c(F)c1
InChIInChI=1S/C26H20F6O/c1-2-3-15-12-22(27)24(23(28)13-15)18-7-11-21-17(14-18)6-10-20(25(21)29)16-4-8-19(9-5-16)33-26(30,31)32/h4-6,8-10,12-14H,2-3,7,11H2,1H3
InChIKeyQBPQDFGKZSOCSL-UHFFFAOYSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene
CID 139960496
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-(4-ethyl-2-fluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960554
1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 22045360
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139960579
6,8-difluoro-3-(2-fluoro-4-pentylphenyl)-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139952140
7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
CID 139960643
3-(4-butyl-2,6-difluorophenyl)-6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139961399
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
6,8-difluoro-3-[2-(4-propylcyclohexyl)ethyl]-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139952159
2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139948831
2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139960883
6,8-difluoro-3-(4-pentylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139952155

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene?
The IUPAC name of 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene (CID 139960351) is 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene?
The canonical SMILES for 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene is CCCc1cc(F)c(C2=Cc3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3CC2)c(F)c1.
What is the InChIKey of 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene?
The InChIKey is QBPQDFGKZSOCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6O/c1-2-3-15-12-22(27)24(23(28)13-15)18-7-11-21-17(14-18)6-10-20(25(21)29)16-4-8-19(9-5-16)33-26(30,31)32/h4-6,8-10,12-14H,2-3,7,11H2,1H3.
What are the key properties of 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene?
3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene has a molecular weight of 462.43 g/mol, XLogP of 8.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene is sourced from PubChem (CID 139960351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).