2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane

C17H16F2O2 — CID 71053921

IUPAC2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane
SMILESCC1COC(c2ccc(F)cc2)(c2ccc(F)cc2)OC1
InChIInChI=1S/C17H16F2O2/c1-12-10-20-17(21-11-12,13-2-6-15(18)7-3-13)14-4-8-16(19)9-5-14/h2-9,12H,10-11H2,1H3
InChIKeySBDWXZREBAYOAL-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.85
Rot. Bonds2

About 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane

2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane (PubChem CID 71053921) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane
PubChem CID71053921
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane
SMILESCC1COC(c2ccc(F)cc2)(c2ccc(F)cc2)OC1
InChIInChI=1S/C17H16F2O2/c1-12-10-20-17(21-11-12,13-2-6-15(18)7-3-13)14-4-8-16(19)9-5-14/h2-9,12H,10-11H2,1H3
InChIKeySBDWXZREBAYOAL-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane?
The IUPAC name of 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane (CID 71053921) is 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane is CC1COC(c2ccc(F)cc2)(c2ccc(F)cc2)OC1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane?
The InChIKey is SBDWXZREBAYOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-12-10-20-17(21-11-12,13-2-6-15(18)7-3-13)14-4-8-16(19)9-5-14/h2-9,12H,10-11H2,1H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane?
2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane has a molecular weight of 290.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-5-methyl-1,3-dioxane is sourced from PubChem (CID 71053921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).