2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene

C26H18F8O — CID 139961670

IUPAC2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene
SMILESCCCc1cc(F)c(C2=CCc3cc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)cc3C2)c(F)c1
InChIInChI=1S/C26H18F8O/c1-2-3-13-6-20(28)24(21(29)7-13)15-5-4-14-9-18(19(27)10-16(14)8-15)17-11-22(30)25(23(31)12-17)35-26(32,33)34/h5-7,9-12H,2-4,8H2,1H3
InChIKeyBVBSJIGFFBMXJG-UHFFFAOYSA-N
MW498.41 g/mol
LogP8.08
Rot. Bonds5

About 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene

2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene (PubChem CID 139961670) has the molecular formula C26H18F8O and a molecular weight of 498.41 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene
PubChem CID139961670
Molecular FormulaC26H18F8O
Molecular Weight498.41 g/mol
Exact Mass498.12
IUPAC Name2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene
SMILESCCCc1cc(F)c(C2=CCc3cc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)cc3C2)c(F)c1
InChIInChI=1S/C26H18F8O/c1-2-3-13-6-20(28)24(21(29)7-13)15-5-4-14-9-18(19(27)10-16(14)8-15)17-11-22(30)25(23(31)12-17)35-26(32,33)34/h5-7,9-12H,2-4,8H2,1H3
InChIKeyBVBSJIGFFBMXJG-UHFFFAOYSA-N
XLogP8.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.41
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732
3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene
CID 139960496
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5,7-difluoro-2-propyl-1,4-dihydronaphthalene
CID 139948944
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139948831
2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961496
2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961745
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139961611
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5,7-difluoro-2-hexyl-1,4-dihydronaphthalene
CID 139949009
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001
2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139961504
6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile
CID 139949003

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene (CID 139961670) is 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene is CCCc1cc(F)c(C2=CCc3cc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)cc3C2)c(F)c1.
What is the InChIKey of 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene?
The InChIKey is BVBSJIGFFBMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F8O/c1-2-3-13-6-20(28)24(21(29)7-13)15-5-4-14-9-18(19(27)10-16(14)8-15)17-11-22(30)25(23(31)12-17)35-26(32,33)34/h5-7,9-12H,2-4,8H2,1H3.
What are the key properties of 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene?
2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene has a molecular weight of 498.41 g/mol, XLogP of 8.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139961670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).