1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one

C12H18F2O2 — CID 82010152

IUPAC1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one
SMILESO=C1CC(OCC(F)F)C12CCCCCC2
InChIInChI=1S/C12H18F2O2/c13-11(14)8-16-10-7-9(15)12(10)5-3-1-2-4-6-12/h10-11H,1-8H2
InChIKeyWGICYZVLVRLJPW-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.95
Rot. Bonds3

About 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one

1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one (PubChem CID 82010152) has the molecular formula C12H18F2O2 and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one
PubChem CID82010152
Molecular FormulaC12H18F2O2
Molecular Weight232.27 g/mol
Exact Mass232.13
IUPAC Name1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one
SMILESO=C1CC(OCC(F)F)C12CCCCCC2
InChIInChI=1S/C12H18F2O2/c13-11(14)8-16-10-7-9(15)12(10)5-3-1-2-4-6-12/h10-11H,1-8H2
InChIKeyWGICYZVLVRLJPW-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one?
The IUPAC name of 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one (CID 82010152) is 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one.
What is the SMILES notation for 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one?
The canonical SMILES for 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one is O=C1CC(OCC(F)F)C12CCCCCC2.
What is the InChIKey of 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one?
The InChIKey is WGICYZVLVRLJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O2/c13-11(14)8-16-10-7-9(15)12(10)5-3-1-2-4-6-12/h10-11H,1-8H2.
What are the key properties of 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one?
1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one has a molecular weight of 232.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)spiro[3.6]decan-3-one is sourced from PubChem (CID 82010152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).