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

C24H20F4 — CID 139853770

IUPAC6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C2CCc3cc(-c4ccc(F)c(F)c4)c(F)cc3C2)c(F)c1
InChIInChI=1S/C24H20F4/c1-2-14-3-7-19(22(26)9-14)16-5-4-15-11-20(23(27)13-18(15)10-16)17-6-8-21(25)24(28)12-17/h3,6-9,11-13,16H,2,4-5,10H2,1H3
InChIKeyBFWVLWSMQFDFFU-UHFFFAOYSA-N
MW384.42 g/mol
LogP6.74
Rot. Bonds3

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

6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853770) has the molecular formula C24H20F4 and a molecular weight of 384.42 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139853770
Molecular FormulaC24H20F4
Molecular Weight384.42 g/mol
Exact Mass384.15
IUPAC Name6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C2CCc3cc(-c4ccc(F)c(F)c4)c(F)cc3C2)c(F)c1
InChIInChI=1S/C24H20F4/c1-2-14-3-7-19(22(26)9-14)16-5-4-15-11-20(23(27)13-18(15)10-16)17-6-8-21(25)24(28)12-17/h3,6-9,11-13,16H,2,4-5,10H2,1H3
InChIKeyBFWVLWSMQFDFFU-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

Analyze 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-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-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene (CID 139853770) is 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene is CCc1ccc(C2CCc3cc(-c4ccc(F)c(F)c4)c(F)cc3C2)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BFWVLWSMQFDFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4/c1-2-14-3-7-19(22(26)9-14)16-5-4-15-11-20(23(27)13-18(15)10-16)17-6-8-21(25)24(28)12-17/h3,6-9,11-13,16H,2,4-5,10H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
6-(3,4-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-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).