2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane

C14H22F2O2 — CID 154524154

IUPAC2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane
SMILESCCCC1CCC(/C=C/C2COC(F)(F)O2)CC1
InChIInChI=1S/C14H22F2O2/c1-2-3-11-4-6-12(7-5-11)8-9-13-10-17-14(15,16)18-13/h8-9,11-13H,2-7,10H2,1H3/b9-8+
InChIKeyDHGOERFUNAAYKU-CMDGGOBGSA-N
MW260.32 g/mol
LogP4.11
Rot. Bonds4

About 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane

2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane (PubChem CID 154524154) has the molecular formula C14H22F2O2 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane
PubChem CID154524154
Molecular FormulaC14H22F2O2
Molecular Weight260.32 g/mol
Exact Mass260.16
IUPAC Name2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane
SMILESCCCC1CCC(/C=C/C2COC(F)(F)O2)CC1
InChIInChI=1S/C14H22F2O2/c1-2-3-11-4-6-12(7-5-11)8-9-13-10-17-14(15,16)18-13/h8-9,11-13H,2-7,10H2,1H3/b9-8+
InChIKeyDHGOERFUNAAYKU-CMDGGOBGSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane
CID 13440554
4-[4-[(E)-but-1-enyl]cyclohexen-1-yl]-2,2-difluoro-1,3-dioxolane
CID 154524150

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane?
The IUPAC name of 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane (CID 154524154) is 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane?
The canonical SMILES for 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane is CCCC1CCC(/C=C/C2COC(F)(F)O2)CC1.
What is the InChIKey of 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane?
The InChIKey is DHGOERFUNAAYKU-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H22F2O2/c1-2-3-11-4-6-12(7-5-11)8-9-13-10-17-14(15,16)18-13/h8-9,11-13H,2-7,10H2,1H3/b9-8+.
What are the key properties of 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane?
2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane has a molecular weight of 260.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane is sourced from PubChem (CID 154524154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).