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

C25H20F4 — CID 139948811

IUPAC6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
SMILESCCCc1ccc(C2=CCc3c(cc(F)c(-c4ccc(F)c(F)c4)c3F)C2)cc1
InChIInChI=1S/C25H20F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-20-19(12-17)14-23(28)24(25(20)29)18-9-11-21(26)22(27)13-18/h4-9,11,13-14H,2-3,10,12H2,1H3
InChIKeyHBECHHONGLQMQS-UHFFFAOYSA-N
MW396.43 g/mol
LogP7.04
Rot. Bonds4

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

6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene (PubChem CID 139948811) has the molecular formula C25H20F4 and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
PubChem CID139948811
Molecular FormulaC25H20F4
Molecular Weight396.43 g/mol
Exact Mass396.15
IUPAC Name6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
SMILESCCCc1ccc(C2=CCc3c(cc(F)c(-c4ccc(F)c(F)c4)c3F)C2)cc1
InChIInChI=1S/C25H20F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-20-19(12-17)14-23(28)24(25(20)29)18-9-11-21(26)22(27)13-18/h4-9,11,13-14H,2-3,10,12H2,1H3
InChIKeyHBECHHONGLQMQS-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene
CID 139948697
1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile
CID 139948659
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
CID 139961655
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852100
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001
2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139948831
6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile
CID 139949003
2-butyl-5,7-difluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139948913
2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961496
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5,7-difluoro-2-propyl-1,4-dihydronaphthalene
CID 139948944

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene?
The IUPAC name of 6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene (CID 139948811) is 6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene.
What is the SMILES notation for 6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene?
The canonical SMILES for 6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene is CCCc1ccc(C2=CCc3c(cc(F)c(-c4ccc(F)c(F)c4)c3F)C2)cc1.
What is the InChIKey of 6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene?
The InChIKey is HBECHHONGLQMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-20-19(12-17)14-23(28)24(25(20)29)18-9-11-21(26)22(27)13-18/h4-9,11,13-14H,2-3,10,12H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene?
6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene has a molecular weight of 396.43 g/mol, XLogP of 7.04, 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-(4-propylphenyl)-1,4-dihydronaphthalene is sourced from PubChem (CID 139948811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).