8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one

C11H17F2NO2 — CID 118366432

IUPAC8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)C1NC(=O)OC12CCC(F)(F)CC2
InChIInChI=1S/C11H17F2NO2/c1-7(2)8-10(16-9(15)14-8)3-5-11(12,13)6-4-10/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyYYNIUGZVAPOFRT-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.70
Rot. Bonds1

About 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one

8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 118366432) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID118366432
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)C1NC(=O)OC12CCC(F)(F)CC2
InChIInChI=1S/C11H17F2NO2/c1-7(2)8-10(16-9(15)14-8)3-5-11(12,13)6-4-10/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyYYNIUGZVAPOFRT-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 118366432) is 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one is CC(C)C1NC(=O)OC12CCC(F)(F)CC2.
What is the InChIKey of 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is YYNIUGZVAPOFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-7(2)8-10(16-9(15)14-8)3-5-11(12,13)6-4-10/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one?
8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 233.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 118366432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).