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

C26H21F5 — CID 139961858

IUPAC2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3cc(-c4ccc(CC)c(F)c4F)c(F)cc3C2)c(F)c1F
InChIInChI=1S/C26H21F5/c1-3-14-7-9-19(25(30)23(14)28)17-6-5-16-12-21(22(27)13-18(16)11-17)20-10-8-15(4-2)24(29)26(20)31/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyKHAGYIXOIQPJKC-UHFFFAOYSA-N
MW428.44 g/mol
LogP7.36
Rot. Bonds4

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

2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene (PubChem CID 139961858) has the molecular formula C26H21F5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
PubChem CID139961858
Molecular FormulaC26H21F5
Molecular Weight428.44 g/mol
Exact Mass428.16
IUPAC Name2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3cc(-c4ccc(CC)c(F)c4F)c(F)cc3C2)c(F)c1F
InChIInChI=1S/C26H21F5/c1-3-14-7-9-19(25(30)23(14)28)17-6-5-16-12-21(22(27)13-18(16)11-17)20-10-8-15(4-2)24(29)26(20)31/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyKHAGYIXOIQPJKC-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961587
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-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961745
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
CID 139961245
2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961496
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
6,7-difluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139961787
2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139961504
2-(2,3-difluoro-4-propylphenyl)-6-ethyl-3,4,5-trifluoro-9H-xanthene
CID 118891234
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
CID 139961179

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene (CID 139961858) is 2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene is CCc1ccc(C2=CCc3cc(-c4ccc(CC)c(F)c4F)c(F)cc3C2)c(F)c1F.
What is the InChIKey of 2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
The InChIKey is KHAGYIXOIQPJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5/c1-3-14-7-9-19(25(30)23(14)28)17-6-5-16-12-21(22(27)13-18(16)11-17)20-10-8-15(4-2)24(29)26(20)31/h6-10,12-13H,3-5,11H2,1-2H3.
What are the key properties of 2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene?
2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene has a molecular weight of 428.44 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139961858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).