7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene

C27H24F4 — CID 139960643

IUPAC7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
SMILESCCCc1ccc(C2=Cc3ccc(-c4ccc(CC)c(F)c4F)c(F)c3CC2)c(F)c1
InChIInChI=1S/C27H24F4/c1-3-5-16-6-10-20(24(28)14-16)18-8-11-21-19(15-18)9-13-22(26(21)30)23-12-7-17(4-2)25(29)27(23)31/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3
InChIKeyFJLIFQLABPUNTP-UHFFFAOYSA-N
MW424.48 g/mol
LogP7.91
Rot. Bonds5

About 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene

7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene (PubChem CID 139960643) has the molecular formula C27H24F4 and a molecular weight of 424.48 g/mol. Its IUPAC name is 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
PubChem CID139960643
Molecular FormulaC27H24F4
Molecular Weight424.48 g/mol
Exact Mass424.18
IUPAC Name7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
SMILESCCCc1ccc(C2=Cc3ccc(-c4ccc(CC)c(F)c4F)c(F)c3CC2)c(F)c1
InChIInChI=1S/C27H24F4/c1-3-5-16-6-10-20(24(28)14-16)18-8-11-21-19(15-18)9-13-22(26(21)30)23-12-7-17(4-2)25(29)27(23)31/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3
InChIKeyFJLIFQLABPUNTP-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 57.91
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

3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene
CID 139960469
7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139960382
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960432
7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene
CID 139960412
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-(4-ethyl-2-fluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960554
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene
CID 139960496
3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139960351
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene
CID 141308047
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
CID 139952241
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene?
The IUPAC name of 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene (CID 139960643) is 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene?
The canonical SMILES for 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene is CCCc1ccc(C2=Cc3ccc(-c4ccc(CC)c(F)c4F)c(F)c3CC2)c(F)c1.
What is the InChIKey of 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene?
The InChIKey is FJLIFQLABPUNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4/c1-3-5-16-6-10-20(24(28)14-16)18-8-11-21-19(15-18)9-13-22(26(21)30)23-12-7-17(4-2)25(29)27(23)31/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3.
What are the key properties of 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene?
7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene has a molecular weight of 424.48 g/mol, XLogP of 7.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 139960643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).