1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane

C53H66Cl2F2N4 — CID 159098919

IUPAC1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane
SMILESC.CC1CCN(C)CC1.Cc1cc(F)c(C)c(Cl)c1.Cc1ccc(C)nc1.Cc1ccc2c(Cl)c(C)ccc2c1.Cc1ccc2c(F)c(C)ccc2c1.Cc1cnc(C)nc1
InChIInChI=1S/C12H11Cl.C12H11F.C8H8ClF.C7H15N.C7H9N.C6H8N2.CH4/c2*1-8-3-6-11-10(7-8)5-4-9(2)12(11)13;1-5-3-7(9)6(2)8(10)4-5;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5;/h2*3-7H,1-2H3;3-4H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;1H4
InChIKeyKDAIJMRDVCVQGB-UHFFFAOYSA-N
MW868.04 g/mol
LogP15.58
Rot. Bonds

About 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane

1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane (PubChem CID 159098919) has the molecular formula C53H66Cl2F2N4 and a molecular weight of 868.04 g/mol. Its IUPAC name is 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane.

Molecular Properties

Compound Name1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane
PubChem CID159098919
Molecular FormulaC53H66Cl2F2N4
Molecular Weight868.04 g/mol
Exact Mass866.46
IUPAC Name1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane
SMILESC.CC1CCN(C)CC1.Cc1cc(F)c(C)c(Cl)c1.Cc1ccc(C)nc1.Cc1ccc2c(Cl)c(C)ccc2c1.Cc1ccc2c(F)c(C)ccc2c1.Cc1cnc(C)nc1
InChIInChI=1S/C12H11Cl.C12H11F.C8H8ClF.C7H15N.C7H9N.C6H8N2.CH4/c2*1-8-3-6-11-10(7-8)5-4-9(2)12(11)13;1-5-3-7(9)6(2)8(10)4-5;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5;/h2*3-7H,1-2H3;3-4H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;1H4
InChIKeyKDAIJMRDVCVQGB-UHFFFAOYSA-N
XLogP15.58
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.04
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane with MolForge

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Related Compounds

2-bromo-3,6-dimethylpyridine;2-chloro-1,4-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;methane
CID 161321439
1-chloro-2,6-dimethylnaphthalene;1,4-dimethylpiperidine;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethylthiophene;ethane
CID 162010411
2,3-difluoro-1,4-dimethylbenzene;pentakis(1,4-dimethylcyclohexane);2,5-dimethyl-1,3-dioxane;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);1,4-xylene
CID 160919555
CID 159856801
CID 159856801
1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylbicyclo[2.2.2]octane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1,4-xylene
CID 160697606
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-2,5-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
1,4-dimethylcyclohexane;2,5-dimethylfuran;1,4-dimethylpiperidine;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,3-xylene;1,4-xylene
CID 160508575
2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)
CID 164989054
1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159577339
tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)
CID 162180141
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane?
The IUPAC name of 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane (CID 159098919) is 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane.
What is the SMILES notation for 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane?
The canonical SMILES for 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane is C.CC1CCN(C)CC1.Cc1cc(F)c(C)c(Cl)c1.Cc1ccc(C)nc1.Cc1ccc2c(Cl)c(C)ccc2c1.Cc1ccc2c(F)c(C)ccc2c1.Cc1cnc(C)nc1.
What is the InChIKey of 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane?
The InChIKey is KDAIJMRDVCVQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl.C12H11F.C8H8ClF.C7H15N.C7H9N.C6H8N2.CH4/c2*1-8-3-6-11-10(7-8)5-4-9(2)12(11)13;1-5-3-7(9)6(2)8(10)4-5;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5;/h2*3-7H,1-2H3;3-4H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;1H4.
What are the key properties of 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane?
1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane has a molecular weight of 868.04 g/mol, XLogP of 15.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,6-dimethylnaphthalene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,4-dimethylpiperidine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-fluoro-2,6-dimethylnaphthalene;methane is sourced from PubChem (CID 159098919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).