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

C24H27F3 — CID 139961545

IUPAC6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene
SMILESCCCCCCC1=CCc2cc(-c3ccc(CC)c(F)c3F)c(F)cc2C1
InChIInChI=1S/C24H27F3/c1-3-5-6-7-8-16-9-10-18-14-21(22(25)15-19(18)13-16)20-12-11-17(4-2)23(26)24(20)27/h9,11-12,14-15H,3-8,10,13H2,1-2H3
InChIKeyXBYGGCSTPJDPBC-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.33
Rot. Bonds7

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

6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene (PubChem CID 139961545) has the molecular formula C24H27F3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene
PubChem CID139961545
Molecular FormulaC24H27F3
Molecular Weight372.47 g/mol
Exact Mass372.21
IUPAC Name6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene
SMILESCCCCCCC1=CCc2cc(-c3ccc(CC)c(F)c3F)c(F)cc2C1
InChIInChI=1S/C24H27F3/c1-3-5-6-7-8-16-9-10-18-14-21(22(25)15-19(18)13-16)20-12-11-17(4-2)23(26)24(20)27/h9,11-12,14-15H,3-8,10,13H2,1-2H3
InChIKeyXBYGGCSTPJDPBC-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
CID 139961245
2-butyl-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961543
6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961587
5-fluoro-2-hexyl-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960719
2-butyl-7-fluoro-1,4-dihydronaphthalene
CID 139961729
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
1-[[4-(2,3-difluoro-4-pentylphenyl)cyclohex-3-en-1-yl]oxymethyl]-4-(4-ethyl-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88856397
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
1-dodecylcyclopropene
CID 22621656

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene?
The IUPAC name of 6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene (CID 139961545) is 6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene.
What is the SMILES notation for 6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene?
The canonical SMILES for 6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene is CCCCCCC1=CCc2cc(-c3ccc(CC)c(F)c3F)c(F)cc2C1.
What is the InChIKey of 6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene?
The InChIKey is XBYGGCSTPJDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3/c1-3-5-6-7-8-16-9-10-18-14-21(22(25)15-19(18)13-16)20-12-11-17(4-2)23(26)24(20)27/h9,11-12,14-15H,3-8,10,13H2,1-2H3.
What are the key properties of 6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene?
6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene has a molecular weight of 372.47 g/mol, XLogP of 7.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene is sourced from PubChem (CID 139961545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).