2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene

C26H24F4O — CID 139852973

IUPAC2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc(C2CCc3cc(-c4ccc(OC(F)(F)F)cc4)ccc3C2)c(F)c1
InChIInChI=1S/C26H24F4O/c1-2-3-17-4-13-24(25(27)14-17)22-8-7-20-15-19(5-6-21(20)16-22)18-9-11-23(12-10-18)31-26(28,29)30/h4-6,9-15,22H,2-3,7-8,16H2,1H3
InChIKeyFFOKFPUTNMUIAA-UHFFFAOYSA-N
MW428.47 g/mol
LogP7.62
Rot. Bonds5

About 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene

2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852973) has the molecular formula C26H24F4O and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139852973
Molecular FormulaC26H24F4O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc(C2CCc3cc(-c4ccc(OC(F)(F)F)cc4)ccc3C2)c(F)c1
InChIInChI=1S/C26H24F4O/c1-2-3-17-4-13-24(25(27)14-17)22-8-7-20-15-19(5-6-21(20)16-22)18-9-11-23(12-10-18)31-26(28,29)30/h4-6,9-15,22H,2-3,7-8,16H2,1H3
InChIKeyFFOKFPUTNMUIAA-UHFFFAOYSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-butyl-2-fluorophenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848035
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
2-(2-fluoro-4-pentylphenyl)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853489
2-(2,6-difluoro-4-propylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849153
2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848519
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852214
2-(4-ethyl-2-fluorophenyl)-5,7,8-trifluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852049
6-(4-fluorophenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853199
6-[2-(2,3-difluorophenyl)ethynyl]-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853124
6-(4-ethylphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852181
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
5-fluoro-2-(2-fluoro-4-hexylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848029

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 139852973) is 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene is CCCc1ccc(C2CCc3cc(-c4ccc(OC(F)(F)F)cc4)ccc3C2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FFOKFPUTNMUIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4O/c1-2-3-17-4-13-24(25(27)14-17)22-8-7-20-15-19(5-6-21(20)16-22)18-9-11-23(12-10-18)31-26(28,29)30/h4-6,9-15,22H,2-3,7-8,16H2,1H3.
What are the key properties of 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 428.47 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-propylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).