2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene

C21H18F2 — CID 139849532

IUPAC2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
SMILESCc1ccc2cc(C3CCc4c(ccc(F)c4F)C3)ccc2c1
InChIInChI=1S/C21H18F2/c1-13-2-3-15-11-16(5-4-14(15)10-13)17-6-8-19-18(12-17)7-9-20(22)21(19)23/h2-5,7,9-11,17H,6,8,12H2,1H3
InChIKeyNKGXSTGKRKJPFP-UHFFFAOYSA-N
MW308.37 g/mol
LogP5.70
Rot. Bonds1

About 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene

2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene (PubChem CID 139849532) has the molecular formula C21H18F2 and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene.

Molecular Properties

Compound Name2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
PubChem CID139849532
Molecular FormulaC21H18F2
Molecular Weight308.37 g/mol
Exact Mass308.14
IUPAC Name2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
SMILESCc1ccc2cc(C3CCc4c(ccc(F)c4F)C3)ccc2c1
InChIInChI=1S/C21H18F2/c1-13-2-3-15-11-16(5-4-14(15)10-13)17-6-8-19-18(12-17)7-9-20(22)21(19)23/h2-5,7,9-11,17H,6,8,12H2,1H3
InChIKeyNKGXSTGKRKJPFP-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.37
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848451
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
CID 139848916
2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139848715
1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139847971
1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
CID 139849412
2-(3,4-difluorophenyl)-1,2,3,4-tetrahydrochrysene
CID 174891211
5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849607
1-fluoro-6-(6-pentylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849138
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
5,6-difluoro-2-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849831
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
2-cyclopropyl-7-methylnaphthalene
CID 176713070

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene?
The IUPAC name of 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene (CID 139849532) is 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene.
What is the SMILES notation for 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene?
The canonical SMILES for 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene is Cc1ccc2cc(C3CCc4c(ccc(F)c4F)C3)ccc2c1.
What is the InChIKey of 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene?
The InChIKey is NKGXSTGKRKJPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2/c1-13-2-3-15-11-16(5-4-14(15)10-13)17-6-8-19-18(12-17)7-9-20(22)21(19)23/h2-5,7,9-11,17H,6,8,12H2,1H3.
What are the key properties of 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene?
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene has a molecular weight of 308.37 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene is sourced from PubChem (CID 139849532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).