2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene

C24H18F4 — CID 139961745

IUPAC2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3cc(-c4cc(F)c(F)c(F)c4)c(F)cc3C2)cc1
InChIInChI=1S/C24H18F4/c1-2-14-3-5-15(6-4-14)16-7-8-17-10-20(21(25)11-18(17)9-16)19-12-22(26)24(28)23(27)13-19/h3-7,10-13H,2,8-9H2,1H3
InChIKeyBQXCGTVUGGDNOV-UHFFFAOYSA-N
MW382.40 g/mol
LogP6.65
Rot. Bonds3

About 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene

2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene (PubChem CID 139961745) has the molecular formula C24H18F4 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
PubChem CID139961745
Molecular FormulaC24H18F4
Molecular Weight382.40 g/mol
Exact Mass382.13
IUPAC Name2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3cc(-c4cc(F)c(F)c(F)c4)c(F)cc3C2)cc1
InChIInChI=1S/C24H18F4/c1-2-14-3-5-15(6-4-14)16-7-8-17-10-20(21(25)11-18(17)9-16)19-12-22(26)24(28)23(27)13-19/h3-7,10-13H,2,8-9H2,1H3
InChIKeyBQXCGTVUGGDNOV-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961496
2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139961504
2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961869
2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961493
2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
CID 139961655
2-butyl-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961543
2,6-bis(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961858
6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene
CID 139948697
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732
2-(4-ethylphenyl)-5-fluoro-6-methoxy-1,4-dihydronaphthalene
CID 139960710
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene
CID 139961670

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene (CID 139961745) is 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene is CCc1ccc(C2=CCc3cc(-c4cc(F)c(F)c(F)c4)c(F)cc3C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
The InChIKey is BQXCGTVUGGDNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4/c1-2-14-3-5-15(6-4-14)16-7-8-17-10-20(21(25)11-18(17)9-16)19-12-22(26)24(28)23(27)13-19/h3-7,10-13H,2,8-9H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene has a molecular weight of 382.40 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene is sourced from PubChem (CID 139961745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).