8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane

C15H16F2O3 — CID 166626629

IUPAC8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(F)cc1F)C1COC2(CCCC2)OO1
InChIInChI=1S/C15H16F2O3/c1-10(12-5-4-11(16)8-13(12)17)14-9-18-15(20-19-14)6-2-3-7-15/h4-5,8,14H,1-3,6-7,9H2
InChIKeyBQVKMIWCWZLWHW-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.60
Rot. Bonds2

About 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane

8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane (PubChem CID 166626629) has the molecular formula C15H16F2O3 and a molecular weight of 282.29 g/mol. Its IUPAC name is 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
PubChem CID166626629
Molecular FormulaC15H16F2O3
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(F)cc1F)C1COC2(CCCC2)OO1
InChIInChI=1S/C15H16F2O3/c1-10(12-5-4-11(16)8-13(12)17)14-9-18-15(20-19-14)6-2-3-7-15/h4-5,8,14H,1-3,6-7,9H2
InChIKeyBQVKMIWCWZLWHW-UHFFFAOYSA-N
XLogP3.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The IUPAC name of 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane (CID 166626629) is 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The canonical SMILES for 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane is C=C(c1ccc(F)cc1F)C1COC2(CCCC2)OO1.
What is the InChIKey of 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The InChIKey is BQVKMIWCWZLWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O3/c1-10(12-5-4-11(16)8-13(12)17)14-9-18-15(20-19-14)6-2-3-7-15/h4-5,8,14H,1-3,6-7,9H2.
What are the key properties of 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane has a molecular weight of 282.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,4-difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 166626629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).