8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one

C10H12F2O2 — CID 89215779

IUPAC8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one
SMILESC=C1CC2(CCC(F)(F)CC2)OC1=O
InChIInChI=1S/C10H12F2O2/c1-7-6-9(14-8(7)13)2-4-10(11,12)5-3-9/h1-6H2
InChIKeyYNUIFBXAOGHBDQ-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.44
Rot. Bonds

About 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one

8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one (PubChem CID 89215779) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one
PubChem CID89215779
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one
SMILESC=C1CC2(CCC(F)(F)CC2)OC1=O
InChIInChI=1S/C10H12F2O2/c1-7-6-9(14-8(7)13)2-4-10(11,12)5-3-9/h1-6H2
InChIKeyYNUIFBXAOGHBDQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one (CID 89215779) is 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one is C=C1CC2(CCC(F)(F)CC2)OC1=O.
What is the InChIKey of 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The InChIKey is YNUIFBXAOGHBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-7-6-9(14-8(7)13)2-4-10(11,12)5-3-9/h1-6H2.
What are the key properties of 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one?
8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-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 8,8-difluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 89215779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).