6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one

C10H13FO2 — CID 89215796

IUPAC6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one
SMILESC=C1CC2(CCCCC2F)OC1=O
InChIInChI=1S/C10H13FO2/c1-7-6-10(13-9(7)12)5-3-2-4-8(10)11/h8H,1-6H2
InChIKeyIRCQERUWDQPVFX-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.14
Rot. Bonds

About 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one

6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one (PubChem CID 89215796) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one
PubChem CID89215796
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one
SMILESC=C1CC2(CCCCC2F)OC1=O
InChIInChI=1S/C10H13FO2/c1-7-6-10(13-9(7)12)5-3-2-4-8(10)11/h8H,1-6H2
InChIKeyIRCQERUWDQPVFX-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.14
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 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one (CID 89215796) is 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one is C=C1CC2(CCCCC2F)OC1=O.
What is the InChIKey of 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The InChIKey is IRCQERUWDQPVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-7-6-10(13-9(7)12)5-3-2-4-8(10)11/h8H,1-6H2.
What are the key properties of 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one?
6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one has a molecular weight of 184.21 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 89215796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).