2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene

C23H29F — CID 139848519

IUPAC2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1ccc(C2CCc3cc(CCC)ccc3C2)c(F)c1
InChIInChI=1S/C23H29F/c1-3-5-7-18-9-13-22(23(24)15-18)21-12-11-19-14-17(6-4-2)8-10-20(19)16-21/h8-10,13-15,21H,3-7,11-12,16H2,1-2H3
InChIKeyWSHUYPROYSPFRK-UHFFFAOYSA-N
MW324.48 g/mol
LogP6.39
Rot. Bonds6

About 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene

2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848519) has the molecular formula C23H29F and a molecular weight of 324.48 g/mol. Its IUPAC name is 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139848519
Molecular FormulaC23H29F
Molecular Weight324.48 g/mol
Exact Mass324.23
IUPAC Name2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1ccc(C2CCc3cc(CCC)ccc3C2)c(F)c1
InChIInChI=1S/C23H29F/c1-3-5-7-18-9-13-22(23(24)15-18)21-12-11-19-14-17(6-4-2)8-10-20(19)16-21/h8-10,13-15,21H,3-7,11-12,16H2,1-2H3
InChIKeyWSHUYPROYSPFRK-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
2-(4-butyl-2-fluorophenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848035
2-(4-butyl-2-fluorophenyl)-6-[2-(2,3-difluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853455
2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848315
2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852973
6-[2-(2,3-difluorophenyl)ethynyl]-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853124
6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853591
5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848991
2-(2-fluoro-4-pentylphenyl)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853489
7-fluoro-2-(2-fluoro-4-pentylphenyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852444
6-ethyl-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849224

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene (CID 139848519) is 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene is CCCCc1ccc(C2CCc3cc(CCC)ccc3C2)c(F)c1.
What is the InChIKey of 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WSHUYPROYSPFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F/c1-3-5-7-18-9-13-22(23(24)15-18)21-12-11-19-14-17(6-4-2)8-10-20(19)16-21/h8-10,13-15,21H,3-7,11-12,16H2,1-2H3.
What are the key properties of 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 324.48 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).