6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene

C27H25F5 — CID 139852820

IUPAC6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCc1ccc(C2CCc3c(cc(F)c(-c4cccc(F)c4F)c3F)C2)c(F)c1
InChIInChI=1S/C27H25F5/c1-2-3-4-6-16-9-11-19(23(29)13-16)17-10-12-20-18(14-17)15-24(30)25(27(20)32)21-7-5-8-22(28)26(21)31/h5,7-9,11,13,15,17H,2-4,6,10,12,14H2,1H3
InChIKeyYJFRSOXNNUAEJS-UHFFFAOYSA-N
MW444.49 g/mol
LogP8.05
Rot. Bonds6

About 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene

6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852820) has the molecular formula C27H25F5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139852820
Molecular FormulaC27H25F5
Molecular Weight444.49 g/mol
Exact Mass444.19
IUPAC Name6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCc1ccc(C2CCc3c(cc(F)c(-c4cccc(F)c4F)c3F)C2)c(F)c1
InChIInChI=1S/C27H25F5/c1-2-3-4-6-16-9-11-19(23(29)13-16)17-10-12-20-18(14-17)15-24(30)25(27(20)32)21-7-5-8-22(28)26(21)31/h5,7-9,11,13,15,17H,2-4,6,10,12,14H2,1H3
InChIKeyYJFRSOXNNUAEJS-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848991
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852214
6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852100
6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853591
5-fluoro-2-(2-fluoro-4-hexylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848029
2-(2,6-difluoro-4-pentylphenyl)-5,7-difluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853393
6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139853119
2-(4-butyl-2-fluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853695
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-hexylnaphthalene
CID 139849579
2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848519
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
2-(2,6-difluoro-4-pentylphenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139847987

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139852820) is 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene is CCCCCc1ccc(C2CCc3c(cc(F)c(-c4cccc(F)c4F)c3F)C2)c(F)c1.
What is the InChIKey of 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YJFRSOXNNUAEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F5/c1-2-3-4-6-16-9-11-19(23(29)13-16)17-10-12-20-18(14-17)15-24(30)25(27(20)32)21-7-5-8-22(28)26(21)31/h5,7-9,11,13,15,17H,2-4,6,10,12,14H2,1H3.
What are the key properties of 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene?
6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 444.49 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).