2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane

C18H24F2O2 — CID 21136668

IUPAC2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane
SMILESCc1c(F)cc(C2OCC(C3CCC(C)CC3)CO2)cc1F
InChIInChI=1S/C18H24F2O2/c1-11-3-5-13(6-4-11)15-9-21-18(22-10-15)14-7-16(19)12(2)17(20)8-14/h7-8,11,13,15,18H,3-6,9-10H2,1-2H3
InChIKeyYWROFJGCZTWQAY-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.76
Rot. Bonds2

About 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane

2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane (PubChem CID 21136668) has the molecular formula C18H24F2O2 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane
PubChem CID21136668
Molecular FormulaC18H24F2O2
Molecular Weight310.38 g/mol
Exact Mass310.17
IUPAC Name2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane
SMILESCc1c(F)cc(C2OCC(C3CCC(C)CC3)CO2)cc1F
InChIInChI=1S/C18H24F2O2/c1-11-3-5-13(6-4-11)15-9-21-18(22-10-15)14-7-16(19)12(2)17(20)8-14/h7-8,11,13,15,18H,3-6,9-10H2,1-2H3
InChIKeyYWROFJGCZTWQAY-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen
CID 159010713
2-[3,5-difluoro-4-[fluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane
CID 143091550
1,3-difluoro-5-(fluoromethoxy)-2-methylbenzene;5-(5-methyloxan-2-yl)-2-(3,4,5-trifluorophenyl)-1,3-dioxane
CID 90811057
2-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-3-fluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane
CID 58151025
CID 59076863
CID 59076863
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane
CID 143091536
2,6-difluoro-4-[5-(4-octylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile
CID 54568073
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21136635
2-(3,4-difluorophenyl)-5-(4-heptylcyclohexyl)-1,3-dioxane
CID 19738712
2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 123239104
2-[4-[chloro(difluoro)methyl]-3,5-difluorophenyl]-5-(4-ethenylcyclohexyl)-1,3-dioxane
CID 20653922
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane?
The IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane (CID 21136668) is 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane is Cc1c(F)cc(C2OCC(C3CCC(C)CC3)CO2)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane?
The InChIKey is YWROFJGCZTWQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2O2/c1-11-3-5-13(6-4-11)15-9-21-18(22-10-15)14-7-16(19)12(2)17(20)8-14/h7-8,11,13,15,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane?
2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane has a molecular weight of 310.38 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 21136668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).