2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene

C22H24F4 — CID 139849189

IUPAC2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1cc(F)c(CCC2CCc3ccc(F)c(F)c3C2)c(F)c1
InChIInChI=1S/C22H24F4/c1-2-3-4-15-12-20(24)17(21(25)13-15)9-6-14-5-7-16-8-10-19(23)22(26)18(16)11-14/h8,10,12-14H,2-7,9,11H2,1H3
InChIKeyJEZDNWJZHWPUQJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP6.32
Rot. Bonds6

About 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene

2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849189) has the molecular formula C22H24F4 and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139849189
Molecular FormulaC22H24F4
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1cc(F)c(CCC2CCc3ccc(F)c(F)c3C2)c(F)c1
InChIInChI=1S/C22H24F4/c1-2-3-4-15-12-20(24)17(21(25)13-15)9-6-14-5-7-16-8-10-19(23)22(26)18(16)11-14/h8,10,12-14H,2-7,9,11H2,1H3
InChIKeyJEZDNWJZHWPUQJ-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848702
6-[2-(2,6-difluoro-4-hexylphenyl)ethyl]-1-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848684
2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849671
5,6-difluoro-2-[2-(4-heptylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849152
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848441
6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848507
2-(2,6-difluoro-4-pentylphenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139847987
7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848195
2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849003
4-[4-[6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3,4-trifluoro-5,6,7,8-tetrahydronaphthalen-2-yl]cyclohexyl]-2-fluorobenzonitrile
CID 139853438
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-7-propyl-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045593
4-[4-[6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3,4-trifluoro-5,6,7,8-tetrahydronaphthalen-2-yl]cyclohexyl]benzonitrile
CID 139853656

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene (CID 139849189) is 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene is CCCCc1cc(F)c(CCC2CCc3ccc(F)c(F)c3C2)c(F)c1.
What is the InChIKey of 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JEZDNWJZHWPUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4/c1-2-3-4-15-12-20(24)17(21(25)13-15)9-6-14-5-7-16-8-10-19(23)22(26)18(16)11-14/h8,10,12-14H,2-7,9,11H2,1H3.
What are the key properties of 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene?
2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 364.43 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).