6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene

C25H19F5O — CID 139961587

IUPAC6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3cc(-c4ccc(OC)c(F)c4F)c(F)cc3C2)c(F)c1F
InChIInChI=1S/C25H19F5O/c1-3-13-6-7-17(23(28)22(13)27)15-5-4-14-11-19(20(26)12-16(14)10-15)18-8-9-21(31-2)25(30)24(18)29/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyZJHDDKRZEAIQRB-UHFFFAOYSA-N
MW430.42 g/mol
LogP6.80
Rot. Bonds4

About 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene

6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene (PubChem CID 139961587) has the molecular formula C25H19F5O and a molecular weight of 430.42 g/mol. Its IUPAC name is 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
PubChem CID139961587
Molecular FormulaC25H19F5O
Molecular Weight430.42 g/mol
Exact Mass430.14
IUPAC Name6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3cc(-c4ccc(OC)c(F)c4F)c(F)cc3C2)c(F)c1F
InChIInChI=1S/C25H19F5O/c1-3-13-6-7-17(23(28)22(13)27)15-5-4-14-11-19(20(26)12-16(14)10-15)18-8-9-21(31-2)25(30)24(18)29/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyZJHDDKRZEAIQRB-UHFFFAOYSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.42
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene with MolForge

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Related Compounds

2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961858
2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961493
6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene
CID 139961545
2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene
CID 139960733
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961395
2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961745
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967533
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960432
1-[[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]methoxy]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967649
2-(4-ethylphenyl)-5-fluoro-6-methoxy-1,4-dihydronaphthalene
CID 139960710
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
CID 139961245

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene (CID 139961587) is 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene is CCc1ccc(C2=CCc3cc(-c4ccc(OC)c(F)c4F)c(F)cc3C2)c(F)c1F.
What is the InChIKey of 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
The InChIKey is ZJHDDKRZEAIQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F5O/c1-3-13-6-7-17(23(28)22(13)27)15-5-4-14-11-19(20(26)12-16(14)10-15)18-8-9-21(31-2)25(30)24(18)29/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene has a molecular weight of 430.42 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139961587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).