2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane

C16H26F2O2 — CID 20599490

IUPAC2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane
SMILESCC1COC(CCC2CCC(CC=C(F)F)CC2)OC1
InChIInChI=1S/C16H26F2O2/c1-12-10-19-16(20-11-12)9-7-14-4-2-13(3-5-14)6-8-15(17)18/h8,12-14,16H,2-7,9-11H2,1H3
InChIKeyMBZCJVJXHLESEQ-UHFFFAOYSA-N
MW288.38 g/mol
LogP4.75
Rot. Bonds5

About 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane

2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane (PubChem CID 20599490) has the molecular formula C16H26F2O2 and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane
PubChem CID20599490
Molecular FormulaC16H26F2O2
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane
SMILESCC1COC(CCC2CCC(CC=C(F)F)CC2)OC1
InChIInChI=1S/C16H26F2O2/c1-12-10-19-16(20-11-12)9-7-14-4-2-13(3-5-14)6-8-15(17)18/h8,12-14,16H,2-7,9-11H2,1H3
InChIKeyMBZCJVJXHLESEQ-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane?
The IUPAC name of 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane (CID 20599490) is 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane.
What is the SMILES notation for 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane?
The canonical SMILES for 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane is CC1COC(CCC2CCC(CC=C(F)F)CC2)OC1.
What is the InChIKey of 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane?
The InChIKey is MBZCJVJXHLESEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O2/c1-12-10-19-16(20-11-12)9-7-14-4-2-13(3-5-14)6-8-15(17)18/h8,12-14,16H,2-7,9-11H2,1H3.
What are the key properties of 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane?
2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane has a molecular weight of 288.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-5-methyl-1,3-dioxane is sourced from PubChem (CID 20599490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).