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

C22H23F3 — CID 139960469

IUPAC3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene
SMILESCCCCc1ccc(C2=Cc3ccc(CC)c(F)c3CC2)c(F)c1F
InChIInChI=1S/C22H23F3/c1-3-5-6-15-9-11-19(22(25)21(15)24)17-10-12-18-16(13-17)8-7-14(4-2)20(18)23/h7-9,11,13H,3-6,10,12H2,1-2H3
InChIKeyBOIBCHLPOVYLBE-UHFFFAOYSA-N
MW344.42 g/mol
LogP6.50
Rot. Bonds5

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

3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene (PubChem CID 139960469) has the molecular formula C22H23F3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene
PubChem CID139960469
Molecular FormulaC22H23F3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene
SMILESCCCCc1ccc(C2=Cc3ccc(CC)c(F)c3CC2)c(F)c1F
InChIInChI=1S/C22H23F3/c1-3-5-6-15-9-11-19(22(25)21(15)24)17-10-12-18-16(13-17)8-7-14(4-2)20(18)23/h7-9,11,13H,3-6,10,12H2,1-2H3
InChIKeyBOIBCHLPOVYLBE-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 56.50
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-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960432
7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
CID 139960643
1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene
CID 139960412
1,8-difluoro-2-heptyl-7-hexyl-9,10-dihydrophenanthrene
CID 174389855
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961395
7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139960382
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-[2-(2,3-difluoro-4-pentylphenyl)ethyl]-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 88856447
1-[[4-(2,3-difluoro-4-pentylphenyl)cyclohex-3-en-1-yl]oxymethyl]-4-(4-ethyl-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88856397
3-butyl-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960444

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene (CID 139960469) is 3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene is CCCCc1ccc(C2=Cc3ccc(CC)c(F)c3CC2)c(F)c1F.
What is the InChIKey of 3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene?
The InChIKey is BOIBCHLPOVYLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3/c1-3-5-6-15-9-11-19(22(25)21(15)24)17-10-12-18-16(13-17)8-7-14(4-2)20(18)23/h7-9,11,13H,3-6,10,12H2,1-2H3.
What are the key properties of 3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene?
3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene has a molecular weight of 344.42 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139960469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).