8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one

C14H14F2O3 — CID 118253054

IUPAC8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCC1c1cc(F)ccc1F)OCCO2
InChIInChI=1S/C14H14F2O3/c15-9-1-2-12(16)11(7-9)10-3-4-14(8-13(10)17)18-5-6-19-14/h1-2,7,10H,3-6,8H2
InChIKeyTZFCDLCAEWLWCJ-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.54
Rot. Bonds1

About 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one

8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 118253054) has the molecular formula C14H14F2O3 and a molecular weight of 268.26 g/mol. Its IUPAC name is 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID118253054
Molecular FormulaC14H14F2O3
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCC1c1cc(F)ccc1F)OCCO2
InChIInChI=1S/C14H14F2O3/c15-9-1-2-12(16)11(7-9)10-3-4-14(8-13(10)17)18-5-6-19-14/h1-2,7,10H,3-6,8H2
InChIKeyTZFCDLCAEWLWCJ-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one (CID 118253054) is 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one is O=C1CC2(CCC1c1cc(F)ccc1F)OCCO2.
What is the InChIKey of 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is TZFCDLCAEWLWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O3/c15-9-1-2-12(16)11(7-9)10-3-4-14(8-13(10)17)18-5-6-19-14/h1-2,7,10H,3-6,8H2.
What are the key properties of 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one?
8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 268.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 118253054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).