1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene

C24H19F5 — CID 159450283

IUPAC1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
SMILESCc1cc(F)c2c(F)c(C)c(F)cc2c1.Cc1ccc2c(F)c(C)c(F)cc2c1
InChIInChI=1S/C12H9F3.C12H10F2/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6;1-7-3-4-10-9(5-7)6-11(13)8(2)12(10)14/h3-5H,1-2H3;3-6H,1-2H3
InChIKeyLTHBQYSLBMSERK-UHFFFAOYSA-N
MW402.41 g/mol
LogP7.61
Rot. Bonds

About 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene

1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene (PubChem CID 159450283) has the molecular formula C24H19F5 and a molecular weight of 402.41 g/mol. Its IUPAC name is 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene.

Molecular Properties

Compound Name1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
PubChem CID159450283
Molecular FormulaC24H19F5
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC Name1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
SMILESCc1cc(F)c2c(F)c(C)c(F)cc2c1.Cc1ccc2c(F)c(C)c(F)cc2c1
InChIInChI=1S/C12H9F3.C12H10F2/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6;1-7-3-4-10-9(5-7)6-11(13)8(2)12(10)14/h3-5H,1-2H3;3-6H,1-2H3
InChIKeyLTHBQYSLBMSERK-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.41
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159577339
1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 158846936
1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene
CID 160531660
1,3-difluoro-2,6-dimethylnaphthalene;bis(1,4-difluoro-2,6-dimethylnaphthalene);1,7-difluoro-2,6-dimethylnaphthalene
CID 162198404
(5,7-difluoro-6-methylnaphthalen-2-yl) hypofluorite
CID 144604583
2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
CID 54113994
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 160948097
5-fluoro-1,3,7-trimethylphenanthrene
CID 59121353
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene
CID 160856568
1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
CID 146656334
6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-1,3,8-trifluoro-2-methylnaphthalene
CID 58755953

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?
The IUPAC name of 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene (CID 159450283) is 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene.
What is the SMILES notation for 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?
The canonical SMILES for 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene is Cc1cc(F)c2c(F)c(C)c(F)cc2c1.Cc1ccc2c(F)c(C)c(F)cc2c1.
What is the InChIKey of 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?
The InChIKey is LTHBQYSLBMSERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3.C12H10F2/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6;1-7-3-4-10-9(5-7)6-11(13)8(2)12(10)14/h3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?
1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene has a molecular weight of 402.41 g/mol, XLogP of 7.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene is sourced from PubChem (CID 159450283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).