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

C36H30F6 — CID 159577339

IUPAC1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-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.Cc1ccc2c(F)c(C)ccc2c1
InChIInChI=1S/C12H9F3.C12H10F2.C12H11F/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;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13/h3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3
InChIKeyMIOOTMKUDVSUIK-UHFFFAOYSA-N
MW576.62 g/mol
LogP11.20
Rot. Bonds

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

1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene (PubChem CID 159577339) has the molecular formula C36H30F6 and a molecular weight of 576.62 g/mol. Its IUPAC name is 1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene.

Molecular Properties

Compound Name1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
PubChem CID159577339
Molecular FormulaC36H30F6
Molecular Weight576.62 g/mol
Exact Mass576.23
IUPAC Name1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-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.Cc1ccc2c(F)c(C)ccc2c1
InChIInChI=1S/C12H9F3.C12H10F2.C12H11F/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;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13/h3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3
InChIKeyMIOOTMKUDVSUIK-UHFFFAOYSA-N
XLogP11.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.62
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159450283
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-2,6-dimethylnaphthalene;bis(1,4-difluoro-2,6-dimethylnaphthalene);1,7-difluoro-2,6-dimethylnaphthalene
CID 162198404
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-fluoro-2,7-dimethylphenanthrene
CID 21032854
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
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
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
(5,7-difluoro-6-methylnaphthalen-2-yl) hypofluorite
CID 144604583
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?
The IUPAC name of 1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene (CID 159577339) is 1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene.
What is the SMILES notation for 1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?
The canonical SMILES for 1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-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.Cc1ccc2c(F)c(C)ccc2c1.
What is the InChIKey of 1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?
The InChIKey is MIOOTMKUDVSUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3.C12H10F2.C12H11F/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;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13/h3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3.
What are the key properties of 1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?
1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene has a molecular weight of 576.62 g/mol, XLogP of 11.20, 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-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene is sourced from PubChem (CID 159577339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).