8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane

C14H16F2O2 — CID 20610161

IUPAC8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1cc(F)cc(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C14H16F2O2/c15-12-7-11(8-13(16)9-12)10-1-3-14(4-2-10)17-5-6-18-14/h7-10H,1-6H2
InChIKeySDOWJHIUOMEXTD-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.37
Rot. Bonds1

About 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane

8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 20610161) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID20610161
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1cc(F)cc(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C14H16F2O2/c15-12-7-11(8-13(16)9-12)10-1-3-14(4-2-10)17-5-6-18-14/h7-10H,1-6H2
InChIKeySDOWJHIUOMEXTD-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane (CID 20610161) is 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane is Fc1cc(F)cc(C2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is SDOWJHIUOMEXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c15-12-7-11(8-13(16)9-12)10-1-3-14(4-2-10)17-5-6-18-14/h7-10H,1-6H2.
What are the key properties of 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane?
8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 254.28 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 20610161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).