2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene

C24H21F3 — CID 139853244

IUPAC2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C2CCc3c(ccc(-c4ccc(F)cc4)c3F)C2)c(F)c1
InChIInChI=1S/C24H21F3/c1-2-15-3-10-20(23(26)13-15)17-6-12-22-18(14-17)7-11-21(24(22)27)16-4-8-19(25)9-5-16/h3-5,7-11,13,17H,2,6,12,14H2,1H3
InChIKeyZRFCGTDZSVQCGX-UHFFFAOYSA-N
MW366.43 g/mol
LogP6.61
Rot. Bonds3

About 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene

2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853244) has the molecular formula C24H21F3 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139853244
Molecular FormulaC24H21F3
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C2CCc3c(ccc(-c4ccc(F)cc4)c3F)C2)c(F)c1
InChIInChI=1S/C24H21F3/c1-2-15-3-10-20(23(26)13-15)17-6-12-22-18(14-17)7-11-21(24(22)27)16-4-8-19(25)9-5-16/h3-5,7-11,13,17H,2,6,12,14H2,1H3
InChIKeyZRFCGTDZSVQCGX-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139853770
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
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
5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848991
6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852100
2-(4-ethyl-2-fluorophenyl)-5,7,8-trifluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852049
5-fluoro-2-(2-fluoro-4-hexylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848029
6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852568
2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852466
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852214

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene (CID 139853244) is 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene is CCc1ccc(C2CCc3c(ccc(-c4ccc(F)cc4)c3F)C2)c(F)c1.
What is the InChIKey of 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZRFCGTDZSVQCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3/c1-2-15-3-10-20(23(26)13-15)17-6-12-22-18(14-17)7-11-21(24(22)27)16-4-8-19(25)9-5-16/h3-5,7-11,13,17H,2,6,12,14H2,1H3.
What are the key properties of 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 366.43 g/mol, XLogP of 6.61, 3 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)-5-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).