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

C21H25F — CID 139848552

IUPAC2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc2c(c1)CCC(c1ccc(CC)cc1F)C2
InChIInChI=1S/C21H25F/c1-3-5-16-6-8-18-14-19(10-9-17(18)12-16)20-11-7-15(4-2)13-21(20)22/h6-8,11-13,19H,3-5,9-10,14H2,1-2H3
InChIKeyUORYMURNYNGQKO-UHFFFAOYSA-N
MW296.43 g/mol
LogP5.61
Rot. Bonds4

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

2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848552) has the molecular formula C21H25F and a molecular weight of 296.43 g/mol. Its IUPAC name is 2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139848552
Molecular FormulaC21H25F
Molecular Weight296.43 g/mol
Exact Mass296.19
IUPAC Name2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc2c(c1)CCC(c1ccc(CC)cc1F)C2
InChIInChI=1S/C21H25F/c1-3-5-16-6-8-18-14-19(10-9-17(18)12-16)20-11-7-15(4-2)13-21(20)22/h6-8,11-13,19H,3-5,9-10,14H2,1-2H3
InChIKeyUORYMURNYNGQKO-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.43
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848519
2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852973
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
6-[2-(2,3-difluorophenyl)ethynyl]-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853124
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853591
6-ethyl-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849224
6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849176
6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139853119
6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849868
6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139853770

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene (CID 139848552) is 2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene is CCCc1ccc2c(c1)CCC(c1ccc(CC)cc1F)C2.
What is the InChIKey of 2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UORYMURNYNGQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F/c1-3-5-16-6-8-18-14-19(10-9-17(18)12-16)20-11-7-15(4-2)13-21(20)22/h6-8,11-13,19H,3-5,9-10,14H2,1-2H3.
What are the key properties of 2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 296.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).