2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane

C17H16F2O2 — CID 145258461

IUPAC2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane
SMILESCC1COC(c2ccc(-c3cccc(F)c3F)cc2)OC1
InChIInChI=1S/C17H16F2O2/c1-11-9-20-17(21-10-11)13-7-5-12(6-8-13)14-3-2-4-15(18)16(14)19/h2-8,11,17H,9-10H2,1H3
InChIKeyXMXAPUCPTWMSTH-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.31
Rot. Bonds2

About 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane

2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane (PubChem CID 145258461) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane
PubChem CID145258461
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane
SMILESCC1COC(c2ccc(-c3cccc(F)c3F)cc2)OC1
InChIInChI=1S/C17H16F2O2/c1-11-9-20-17(21-10-11)13-7-5-12(6-8-13)14-3-2-4-15(18)16(14)19/h2-8,11,17H,9-10H2,1H3
InChIKeyXMXAPUCPTWMSTH-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane
CID 145172621
2-[4-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]phenyl]-5-methyl-1,3-dioxane;ethane
CID 144548674
2-[4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-5-methyl-1,3-dioxane
CID 129159549
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-methyl-1,3-dioxane;ethane
CID 143091536
2-[4-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-dioxane
CID 88998526
2-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)cyclohepta-1,3,6-trien-1-yl]phenyl]-5-methyl-1,3-dioxane
CID 144548688
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
2-[4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxan-5-amine
CID 129171145
2-[4-[2,3-difluoro-4-[4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-octyl-1,3-dioxane
CID 22000879
2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methyl-1,3-dioxane
CID 144764097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane?
The IUPAC name of 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane (CID 145258461) is 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane?
The canonical SMILES for 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane is CC1COC(c2ccc(-c3cccc(F)c3F)cc2)OC1.
What is the InChIKey of 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane?
The InChIKey is XMXAPUCPTWMSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-11-9-20-17(21-10-11)13-7-5-12(6-8-13)14-3-2-4-15(18)16(14)19/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane?
2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane has a molecular weight of 290.31 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluorophenyl)phenyl]-5-methyl-1,3-dioxane is sourced from PubChem (CID 145258461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).