2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane

C20H23F3O2 — CID 143091536

IUPAC2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane
SMILESCC.Cc1c(F)cc(-c2ccc(C3OCC(C)CO3)cc2F)cc1F
InChIInChI=1S/C18H17F3O2.C2H6/c1-10-8-22-18(23-9-10)12-3-4-14(17(21)5-12)13-6-15(19)11(2)16(20)7-13;1-2/h3-7,10,18H,8-9H2,1-2H3;1-2H3
InChIKeyIQLJLEVRCPKBSX-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.79
Rot. Bonds2

About 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane

2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane (PubChem CID 143091536) has the molecular formula C20H23F3O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane.

Molecular Properties

Compound Name2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane
PubChem CID143091536
Molecular FormulaC20H23F3O2
Molecular Weight352.40 g/mol
Exact Mass352.17
IUPAC Name2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane
SMILESCC.Cc1c(F)cc(-c2ccc(C3OCC(C)CO3)cc2F)cc1F
InChIInChI=1S/C18H17F3O2.C2H6/c1-10-8-22-18(23-9-10)12-3-4-14(17(21)5-12)13-6-15(19)11(2)16(20)7-13;1-2/h3-7,10,18H,8-9H2,1-2H3;1-2H3
InChIKeyIQLJLEVRCPKBSX-UHFFFAOYSA-N
XLogP5.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]phenyl]-5-methyl-1,3-dioxane;ethane
CID 144548674
2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methyl-1,3-dioxane
CID 144764097
2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-dioxane;(3,4,5-trifluorophenyl) hypofluorite
CID 91220627
2-[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxan-5-amine
CID 129215343
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyl-1,3-dioxane
CID 54250531
5-methyl-2-[4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane
CID 145172621
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-methyloxane
CID 58937386
2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluoro-2-methylphenyl)phenyl]phenyl]-1,3-dioxane-5-thiol
CID 134447938
2-[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane-5-thiol
CID 135161744
2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane
CID 21136668
2-[4-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-dioxane
CID 88998526
2-[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]-3-fluorophenyl]-5-(methoxymethyl)-1,3-dioxane
CID 122500765

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane?
The IUPAC name of 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane (CID 143091536) is 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane.
What is the SMILES notation for 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane?
The canonical SMILES for 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane is CC.Cc1c(F)cc(-c2ccc(C3OCC(C)CO3)cc2F)cc1F.
What is the InChIKey of 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane?
The InChIKey is IQLJLEVRCPKBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O2.C2H6/c1-10-8-22-18(23-9-10)12-3-4-14(17(21)5-12)13-6-15(19)11(2)16(20)7-13;1-2/h3-7,10,18H,8-9H2,1-2H3;1-2H3.
What are the key properties of 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane?
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane has a molecular weight of 352.40 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane is sourced from PubChem (CID 143091536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).