2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane

C16H23FO2 — CID 13240206

IUPAC2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane
SMILESCC(C)C1OC(C)(c2ccc(F)cc2)OCC1(C)C
InChIInChI=1S/C16H23FO2/c1-11(2)14-15(3,4)10-18-16(5,19-14)12-6-8-13(17)9-7-12/h6-9,11,14H,10H2,1-5H3
InChIKeyVUFAESJFUZNFBG-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.10
Rot. Bonds2

About 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane

2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane (PubChem CID 13240206) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane
PubChem CID13240206
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane
SMILESCC(C)C1OC(C)(c2ccc(F)cc2)OCC1(C)C
InChIInChI=1S/C16H23FO2/c1-11(2)14-15(3,4)10-18-16(5,19-14)12-6-8-13(17)9-7-12/h6-9,11,14H,10H2,1-5H3
InChIKeyVUFAESJFUZNFBG-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane?
The IUPAC name of 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane (CID 13240206) is 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane?
The canonical SMILES for 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane is CC(C)C1OC(C)(c2ccc(F)cc2)OCC1(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane?
The InChIKey is VUFAESJFUZNFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-11(2)14-15(3,4)10-18-16(5,19-14)12-6-8-13(17)9-7-12/h6-9,11,14H,10H2,1-5H3.
What are the key properties of 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane?
2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane has a molecular weight of 266.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 13240206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).