9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one

C10H12F2O2 — CID 164659294

IUPAC9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one
SMILESO=C1C=COC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C10H12F2O2/c11-10(12)4-2-9(3-5-10)7-8(13)1-6-14-9/h1,6H,2-5,7H2
InChIKeyHOOZLKQPIRGKMK-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.44
Rot. Bonds

About 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one

9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one (PubChem CID 164659294) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one
PubChem CID164659294
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one
SMILESO=C1C=COC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C10H12F2O2/c11-10(12)4-2-9(3-5-10)7-8(13)1-6-14-9/h1,6H,2-5,7H2
InChIKeyHOOZLKQPIRGKMK-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one (CID 164659294) is 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one is O=C1C=COC2(CCC(F)(F)CC2)C1.
What is the InChIKey of 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one?
The InChIKey is HOOZLKQPIRGKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c11-10(12)4-2-9(3-5-10)7-8(13)1-6-14-9/h1,6H,2-5,7H2.
What are the key properties of 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one?
9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one has a molecular weight of 202.20 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-1-oxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 164659294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).