2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane

C12H15FO2 — CID 174359153

IUPAC2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
SMILESCC1(C)COC(c2ccccc2F)OC1
InChIInChI=1S/C12H15FO2/c1-12(2)7-14-11(15-8-12)9-5-3-4-6-10(9)13/h3-6,11H,7-8H2,1-2H3
InChIKeyRRFNEGSBEMVHQF-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.90
Rot. Bonds1

About 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane

2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane (PubChem CID 174359153) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
PubChem CID174359153
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
SMILESCC1(C)COC(c2ccccc2F)OC1
InChIInChI=1S/C12H15FO2/c1-12(2)7-14-11(15-8-12)9-5-3-4-6-10(9)13/h3-6,11H,7-8H2,1-2H3
InChIKeyRRFNEGSBEMVHQF-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane (CID 174359153) is 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane is CC1(C)COC(c2ccccc2F)OC1.
What is the InChIKey of 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane?
The InChIKey is RRFNEGSBEMVHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-12(2)7-14-11(15-8-12)9-5-3-4-6-10(9)13/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane?
2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane has a molecular weight of 210.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 174359153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).