11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane

C11H19FO3 — CID 71225679

IUPAC11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane
SMILESCC1(C)COC2(CCOCC2CF)OC1
InChIInChI=1S/C11H19FO3/c1-10(2)7-14-11(15-8-10)3-4-13-6-9(11)5-12/h9H,3-8H2,1-2H3
InChIKeyONBKTNNVWLCVFN-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.76
Rot. Bonds1

About 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane

11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane (PubChem CID 71225679) has the molecular formula C11H19FO3 and a molecular weight of 218.27 g/mol. Its IUPAC name is 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane.

Molecular Properties

Compound Name11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane
PubChem CID71225679
Molecular FormulaC11H19FO3
Molecular Weight218.27 g/mol
Exact Mass218.13
IUPAC Name11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane
SMILESCC1(C)COC2(CCOCC2CF)OC1
InChIInChI=1S/C11H19FO3/c1-10(2)7-14-11(15-8-10)3-4-13-6-9(11)5-12/h9H,3-8H2,1-2H3
InChIKeyONBKTNNVWLCVFN-UHFFFAOYSA-N
XLogP1.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane?
The IUPAC name of 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane (CID 71225679) is 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane.
What is the SMILES notation for 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane?
The canonical SMILES for 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane is CC1(C)COC2(CCOCC2CF)OC1.
What is the InChIKey of 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane?
The InChIKey is ONBKTNNVWLCVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO3/c1-10(2)7-14-11(15-8-10)3-4-13-6-9(11)5-12/h9H,3-8H2,1-2H3.
What are the key properties of 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane?
11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane has a molecular weight of 218.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane is sourced from PubChem (CID 71225679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).