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

C25H21F5 — CID 139852100

IUPAC6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc(C2CCc3c(cc(F)c(-c4ccc(F)c(F)c4)c3F)C2)c(F)c1
InChIInChI=1S/C25H21F5/c1-2-3-14-4-7-18(21(27)10-14)15-5-8-19-17(11-15)13-23(29)24(25(19)30)16-6-9-20(26)22(28)12-16/h4,6-7,9-10,12-13,15H,2-3,5,8,11H2,1H3
InChIKeyJDIPDMJCIGSQNT-UHFFFAOYSA-N
MW416.43 g/mol
LogP7.27
Rot. Bonds4

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

6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852100) has the molecular formula C25H21F5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139852100
Molecular FormulaC25H21F5
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc(C2CCc3c(cc(F)c(-c4ccc(F)c(F)c4)c3F)C2)c(F)c1
InChIInChI=1S/C25H21F5/c1-2-3-14-4-7-18(21(27)10-14)15-5-8-19-17(11-15)13-23(29)24(25(19)30)16-6-9-20(26)22(28)12-16/h4,6-7,9-10,12-13,15H,2-3,5,8,11H2,1H3
InChIKeyJDIPDMJCIGSQNT-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852214
6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852820
5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848991
2-(4-butyl-2-fluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853695
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
2-(2,6-difluoro-4-pentylphenyl)-5,7-difluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853393
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
2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848519
6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
CID 139948811
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853591

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139852100) is 6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is CCCc1ccc(C2CCc3c(cc(F)c(-c4ccc(F)c(F)c4)c3F)C2)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JDIPDMJCIGSQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5/c1-2-3-14-4-7-18(21(27)10-14)15-5-8-19-17(11-15)13-23(29)24(25(19)30)16-6-9-20(26)22(28)12-16/h4,6-7,9-10,12-13,15H,2-3,5,8,11H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 416.43 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).