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

C11H18F2O3 — CID 71225526

IUPAC11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane
SMILESCC1(C)COC2(CCOCC2C(F)F)OC1
InChIInChI=1S/C11H18F2O3/c1-10(2)6-15-11(16-7-10)3-4-14-5-8(11)9(12)13/h8-9H,3-7H2,1-2H3
InChIKeyHKUYHPJFDTYOAA-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.06
Rot. Bonds1

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

11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane (PubChem CID 71225526) has the molecular formula C11H18F2O3 and a molecular weight of 236.26 g/mol. Its IUPAC name is 11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane.

Molecular Properties

Compound Name11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane
PubChem CID71225526
Molecular FormulaC11H18F2O3
Molecular Weight236.26 g/mol
Exact Mass236.12
IUPAC Name11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane
SMILESCC1(C)COC2(CCOCC2C(F)F)OC1
InChIInChI=1S/C11H18F2O3/c1-10(2)6-15-11(16-7-10)3-4-14-5-8(11)9(12)13/h8-9H,3-7H2,1-2H3
InChIKeyHKUYHPJFDTYOAA-UHFFFAOYSA-N
XLogP2.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane?
The IUPAC name of 11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane (CID 71225526) is 11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane.
What is the SMILES notation for 11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane?
The canonical SMILES for 11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane is CC1(C)COC2(CCOCC2C(F)F)OC1.
What is the InChIKey of 11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane?
The InChIKey is HKUYHPJFDTYOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O3/c1-10(2)6-15-11(16-7-10)3-4-14-5-8(11)9(12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane?
11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane has a molecular weight of 236.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane is sourced from PubChem (CID 71225526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).