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

C25H22F4 — CID 139853591

IUPAC6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc(C2CCc3cc(-c4cccc(F)c4F)c(F)cc3C2)c(F)c1
InChIInChI=1S/C25H22F4/c1-2-4-15-7-10-19(23(27)11-15)17-9-8-16-13-21(24(28)14-18(16)12-17)20-5-3-6-22(26)25(20)29/h3,5-7,10-11,13-14,17H,2,4,8-9,12H2,1H3
InChIKeyGSWMFVHHMRAZJB-UHFFFAOYSA-N
MW398.44 g/mol
LogP7.14
Rot. Bonds4

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

6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853591) has the molecular formula C25H22F4 and a molecular weight of 398.44 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139853591
Molecular FormulaC25H22F4
Molecular Weight398.44 g/mol
Exact Mass398.17
IUPAC Name6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc(C2CCc3cc(-c4cccc(F)c4F)c(F)cc3C2)c(F)c1
InChIInChI=1S/C25H22F4/c1-2-4-15-7-10-19(23(27)11-15)17-9-8-16-13-21(24(28)14-18(16)12-17)20-5-3-6-22(26)25(20)29/h3,5-7,10-11,13-14,17H,2,4,8-9,12H2,1H3
InChIKeyGSWMFVHHMRAZJB-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139853591) is 6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is CCCc1ccc(C2CCc3cc(-c4cccc(F)c4F)c(F)cc3C2)c(F)c1.
What is the InChIKey of 6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GSWMFVHHMRAZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4/c1-2-4-15-7-10-19(23(27)11-15)17-9-8-16-13-21(24(28)14-18(16)12-17)20-5-3-6-22(26)25(20)29/h3,5-7,10-11,13-14,17H,2,4,8-9,12H2,1H3.
What are the key properties of 6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
6-(2,3-difluorophenyl)-7-fluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 398.44 g/mol, XLogP of 7.14, 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-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).