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

C24H20F4 — CID 139853119

IUPAC6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C2CCc3cc(-c4cccc(F)c4F)c(F)cc3C2)c(F)c1
InChIInChI=1S/C24H20F4/c1-2-14-6-9-18(22(26)10-14)16-8-7-15-12-20(23(27)13-17(15)11-16)19-4-3-5-21(25)24(19)28/h3-6,9-10,12-13,16H,2,7-8,11H2,1H3
InChIKeyPEPMQEOBZHNMBU-UHFFFAOYSA-N
MW384.42 g/mol
LogP6.74
Rot. Bonds3

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

6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853119) has the molecular formula C24H20F4 and a molecular weight of 384.42 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139853119
Molecular FormulaC24H20F4
Molecular Weight384.42 g/mol
Exact Mass384.15
IUPAC Name6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C2CCc3cc(-c4cccc(F)c4F)c(F)cc3C2)c(F)c1
InChIInChI=1S/C24H20F4/c1-2-14-6-9-18(22(26)10-14)16-8-7-15-12-20(23(27)13-17(15)11-16)19-4-3-5-21(25)24(19)28/h3-6,9-10,12-13,16H,2,7-8,11H2,1H3
InChIKeyPEPMQEOBZHNMBU-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.42
LogP ≤ 56.74
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)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene (CID 139853119) is 6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene is CCc1ccc(C2CCc3cc(-c4cccc(F)c4F)c(F)cc3C2)c(F)c1.
What is the InChIKey of 6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PEPMQEOBZHNMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4/c1-2-14-6-9-18(22(26)10-14)16-8-7-15-12-20(23(27)13-17(15)11-16)19-4-3-5-21(25)24(19)28/h3-6,9-10,12-13,16H,2,7-8,11H2,1H3.
What are the key properties of 6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 384.42 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).