8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane

C11H19FO2 — CID 155319961

IUPAC8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane
SMILESCC(C)C1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C11H19FO2/c1-9(2)10(12)3-5-11(6-4-10)13-7-8-14-11/h9H,3-8H2,1-2H3
InChIKeyRUJNZSIHBZUNMJ-UHFFFAOYSA-N
MW202.27 g/mol
LogP2.67
Rot. Bonds1

About 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane

8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane (PubChem CID 155319961) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane
PubChem CID155319961
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane
SMILESCC(C)C1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C11H19FO2/c1-9(2)10(12)3-5-11(6-4-10)13-7-8-14-11/h9H,3-8H2,1-2H3
InChIKeyRUJNZSIHBZUNMJ-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane (CID 155319961) is 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane is CC(C)C1(F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The InChIKey is RUJNZSIHBZUNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-9(2)10(12)3-5-11(6-4-10)13-7-8-14-11/h9H,3-8H2,1-2H3.
What are the key properties of 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane?
8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane has a molecular weight of 202.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 155319961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).