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

C25H23F3 — CID 139853433

IUPAC6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc(C2CCc3cc(-c4cccc(F)c4F)c(F)cc3C2)cc1
InChIInChI=1S/C25H23F3/c1-2-4-16-7-9-17(10-8-16)18-11-12-19-14-22(24(27)15-20(19)13-18)21-5-3-6-23(26)25(21)28/h3,5-10,14-15,18H,2,4,11-13H2,1H3
InChIKeyLMUSVNGUOREGIY-UHFFFAOYSA-N
MW380.45 g/mol
LogP7.00
Rot. Bonds4

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

6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853433) has the molecular formula C25H23F3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139853433
Molecular FormulaC25H23F3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc(C2CCc3cc(-c4cccc(F)c4F)c(F)cc3C2)cc1
InChIInChI=1S/C25H23F3/c1-2-4-16-7-9-17(10-8-16)18-11-12-19-14-22(24(27)15-20(19)13-18)21-5-3-6-23(26)25(21)28/h3,5-10,14-15,18H,2,4,11-13H2,1H3
InChIKeyLMUSVNGUOREGIY-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139853433) is 6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is CCCc1ccc(C2CCc3cc(-c4cccc(F)c4F)c(F)cc3C2)cc1.
What is the InChIKey of 6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LMUSVNGUOREGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3/c1-2-4-16-7-9-17(10-8-16)18-11-12-19-14-22(24(27)15-20(19)13-18)21-5-3-6-23(26)25(21)28/h3,5-10,14-15,18H,2,4,11-13H2,1H3.
What are the key properties of 6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 380.45 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-7-fluoro-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).