fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate

C10H15FO4 — CID 143317456

IUPACfluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESO=C(CC1CCC2(CC1)OCCO2)OF
InChIInChI=1S/C10H15FO4/c11-15-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h8H,1-7H2
InChIKeyQFGYZRMPWRKCEN-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.74
Rot. Bonds2

About fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate

fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate (PubChem CID 143317456) has the molecular formula C10H15FO4 and a molecular weight of 218.22 g/mol. Its IUPAC name is fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Namefluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
PubChem CID143317456
Molecular FormulaC10H15FO4
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Namefluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESO=C(CC1CCC2(CC1)OCCO2)OF
InChIInChI=1S/C10H15FO4/c11-15-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h8H,1-7H2
InChIKeyQFGYZRMPWRKCEN-UHFFFAOYSA-N
XLogP1.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The IUPAC name of fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate (CID 143317456) is fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate is O=C(CC1CCC2(CC1)OCCO2)OF.
What is the InChIKey of fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The InChIKey is QFGYZRMPWRKCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO4/c11-15-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h8H,1-7H2.
What are the key properties of fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate?
fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate has a molecular weight of 218.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 143317456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).