3-(difluoromethoxy)spiro[5.5]undecane

C12H20F2O — CID 18710879

IUPAC3-(difluoromethoxy)spiro[5.5]undecane
SMILESFC(F)OC1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H20F2O/c13-11(14)15-10-4-8-12(9-5-10)6-2-1-3-7-12/h10-11H,1-9H2
InChIKeySAZXNQWKIDILOA-UHFFFAOYSA-N
MW218.29 g/mol
LogP4.12
Rot. Bonds2

About 3-(difluoromethoxy)spiro[5.5]undecane

3-(difluoromethoxy)spiro[5.5]undecane (PubChem CID 18710879) has the molecular formula C12H20F2O and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)spiro[5.5]undecane.

Molecular Properties

Compound Name3-(difluoromethoxy)spiro[5.5]undecane
PubChem CID18710879
Molecular FormulaC12H20F2O
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-(difluoromethoxy)spiro[5.5]undecane
SMILESFC(F)OC1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H20F2O/c13-11(14)15-10-4-8-12(9-5-10)6-2-1-3-7-12/h10-11H,1-9H2
InChIKeySAZXNQWKIDILOA-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)spiro[5.5]undecane?
The IUPAC name of 3-(difluoromethoxy)spiro[5.5]undecane (CID 18710879) is 3-(difluoromethoxy)spiro[5.5]undecane.
What is the SMILES notation for 3-(difluoromethoxy)spiro[5.5]undecane?
The canonical SMILES for 3-(difluoromethoxy)spiro[5.5]undecane is FC(F)OC1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(difluoromethoxy)spiro[5.5]undecane?
The InChIKey is SAZXNQWKIDILOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O/c13-11(14)15-10-4-8-12(9-5-10)6-2-1-3-7-12/h10-11H,1-9H2.
What are the key properties of 3-(difluoromethoxy)spiro[5.5]undecane?
3-(difluoromethoxy)spiro[5.5]undecane has a molecular weight of 218.29 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)spiro[5.5]undecane is sourced from PubChem (CID 18710879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).