2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane

C19H27FO2 — CID 15095221

IUPAC2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(c3ccc(F)cc3)CC2)OC1
InChIInChI=1S/C19H27FO2/c1-2-3-14-12-21-19(22-13-14)17-6-4-15(5-7-17)16-8-10-18(20)11-9-16/h8-11,14-15,17,19H,2-7,12-13H2,1H3
InChIKeyAMMTXHJRPQQKJX-UHFFFAOYSA-N
MW306.42 g/mol
LogP4.89
Rot. Bonds4

About 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane

2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane (PubChem CID 15095221) has the molecular formula C19H27FO2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane
PubChem CID15095221
Molecular FormulaC19H27FO2
Molecular Weight306.42 g/mol
Exact Mass306.20
IUPAC Name2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(c3ccc(F)cc3)CC2)OC1
InChIInChI=1S/C19H27FO2/c1-2-3-14-12-21-19(22-13-14)17-6-4-15(5-7-17)16-8-10-18(20)11-9-16/h8-11,14-15,17,19H,2-7,12-13H2,1H3
InChIKeyAMMTXHJRPQQKJX-UHFFFAOYSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The IUPAC name of 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane (CID 15095221) is 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane is CCCC1COC(C2CCC(c3ccc(F)cc3)CC2)OC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The InChIKey is AMMTXHJRPQQKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FO2/c1-2-3-14-12-21-19(22-13-14)17-6-4-15(5-7-17)16-8-10-18(20)11-9-16/h8-11,14-15,17,19H,2-7,12-13H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane?
2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane has a molecular weight of 306.42 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 15095221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).