6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

C24H26F4 — CID 130347361

IUPAC6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(CCc3cc4c(c(F)c3F)CC(C)CC4)c(F)c(F)c2C1
InChIInChI=1S/C24H26F4/c1-13-3-5-15-11-17(21(25)23(27)19(15)9-13)7-8-18-12-16-6-4-14(2)10-20(16)24(28)22(18)26/h11-14H,3-10H2,1-2H3
InChIKeyHEYYPPIIVMNQDM-UHFFFAOYSA-N
MW390.46 g/mol
LogP6.28
Rot. Bonds3

About 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 130347361) has the molecular formula C24H26F4 and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID130347361
Molecular FormulaC24H26F4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Name6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(CCc3cc4c(c(F)c3F)CC(C)CC4)c(F)c(F)c2C1
InChIInChI=1S/C24H26F4/c1-13-3-5-15-11-17(21(25)23(27)19(15)9-13)7-8-18-12-16-6-4-14(2)10-20(16)24(28)22(18)26/h11-14H,3-10H2,1-2H3
InChIKeyHEYYPPIIVMNQDM-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 130347361) is 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is CC1CCc2cc(CCc3cc4c(c(F)c3F)CC(C)CC4)c(F)c(F)c2C1.
What is the InChIKey of 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HEYYPPIIVMNQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4/c1-13-3-5-15-11-17(21(25)23(27)19(15)9-13)7-8-18-12-16-6-4-14(2)10-20(16)24(28)22(18)26/h11-14H,3-10H2,1-2H3.
What are the key properties of 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 390.46 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 130347361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).