2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane

C16H26F2O2 — CID 20599519

IUPAC2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane
SMILESFC(F)=CCCC1CCC(CCC2OCCCO2)CC1
InChIInChI=1S/C16H26F2O2/c17-15(18)4-1-3-13-5-7-14(8-6-13)9-10-16-19-11-2-12-20-16/h4,13-14,16H,1-3,5-12H2
InChIKeyRDOBOSCBKNECKZ-UHFFFAOYSA-N
MW288.38 g/mol
LogP4.90
Rot. Bonds6

About 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane

2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane (PubChem CID 20599519) has the molecular formula C16H26F2O2 and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane
PubChem CID20599519
Molecular FormulaC16H26F2O2
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane
SMILESFC(F)=CCCC1CCC(CCC2OCCCO2)CC1
InChIInChI=1S/C16H26F2O2/c17-15(18)4-1-3-13-5-7-14(8-6-13)9-10-16-19-11-2-12-20-16/h4,13-14,16H,1-3,5-12H2
InChIKeyRDOBOSCBKNECKZ-UHFFFAOYSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane (CID 20599519) is 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane is FC(F)=CCCC1CCC(CCC2OCCCO2)CC1.
What is the InChIKey of 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane?
The InChIKey is RDOBOSCBKNECKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O2/c17-15(18)4-1-3-13-5-7-14(8-6-13)9-10-16-19-11-2-12-20-16/h4,13-14,16H,1-3,5-12H2.
What are the key properties of 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane?
2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane has a molecular weight of 288.38 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane is sourced from PubChem (CID 20599519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).