6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene

C24H17F5 — CID 139948697

IUPAC6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3c(cc(F)c(-c4ccc(F)c(F)c4)c3F)C2)c(F)c1
InChIInChI=1S/C24H17F5/c1-2-13-3-6-17(20(26)9-13)14-4-7-18-16(10-14)12-22(28)23(24(18)29)15-5-8-19(25)21(27)11-15/h3-6,8-9,11-12H,2,7,10H2,1H3
InChIKeyNHTNSSBDNNKSOO-UHFFFAOYSA-N
MW400.39 g/mol
LogP6.79
Rot. Bonds3

About 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene

6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene (PubChem CID 139948697) has the molecular formula C24H17F5 and a molecular weight of 400.39 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene
PubChem CID139948697
Molecular FormulaC24H17F5
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3c(cc(F)c(-c4ccc(F)c(F)c4)c3F)C2)c(F)c1
InChIInChI=1S/C24H17F5/c1-2-13-3-6-17(20(26)9-13)14-4-7-18-16(10-14)12-22(28)23(24(18)29)15-5-8-19(25)21(27)11-15/h3-6,8-9,11-12H,2,7,10H2,1H3
InChIKeyNHTNSSBDNNKSOO-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.39
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
CID 139948811
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001
2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139960883
2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961745
2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139948831
2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
CID 139884423
2-(2,6-difluoro-4-pentylphenyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960805
2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene
CID 139960733
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
CID 139884229
5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139960788
2-(4-butyl-2-fluorophenyl)-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139960984

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene?
The IUPAC name of 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene (CID 139948697) is 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene is CCc1ccc(C2=CCc3c(cc(F)c(-c4ccc(F)c(F)c4)c3F)C2)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene?
The InChIKey is NHTNSSBDNNKSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5/c1-2-13-3-6-17(20(26)9-13)14-4-7-18-16(10-14)12-22(28)23(24(18)29)15-5-8-19(25)21(27)11-15/h3-6,8-9,11-12H,2,7,10H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene?
6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene has a molecular weight of 400.39 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139948697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).