7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one

C12H19F2NO2 — CID 170720876

IUPAC7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCCCCC1CC2(CCC1(F)F)CNC(=O)O2
InChIInChI=1S/C12H19F2NO2/c1-2-3-4-9-7-11(5-6-12(9,13)14)8-15-10(16)17-11/h9H,2-8H2,1H3,(H,15,16)
InChIKeyFAEUPMVYFKLMHV-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.09
Rot. Bonds3

About 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one

7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 170720876) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID170720876
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCCCCC1CC2(CCC1(F)F)CNC(=O)O2
InChIInChI=1S/C12H19F2NO2/c1-2-3-4-9-7-11(5-6-12(9,13)14)8-15-10(16)17-11/h9H,2-8H2,1H3,(H,15,16)
InChIKeyFAEUPMVYFKLMHV-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8,8-Difluoro-1-oxa-3-azaspiro[4.5]decan-2-one
CID 118366330
8,8-Difluoro-4-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 118366432
8,8-Difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 118366543
(4S)-4-propan-2-yl-5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 11686508
2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate
CID 62316231
8-(Trifluoromethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65584092
7-(Trifluoromethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65585568
tert-butyl N-[3,3,3-trifluoro-2-hydroxy-2-(4-methylcyclohexyl)propyl]carbamate
CID 165701812
tert-butyl N-{[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl}carbamate
CID 165702227
7-Methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65583670
8-Propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65585151
5-Ethyl-5-hexyl-1,3-oxazolidin-2-one
CID 118214328

Frequently Asked Questions

What is the IUPAC name of 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one (CID 170720876) is 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one is CCCCC1CC2(CCC1(F)F)CNC(=O)O2.
What is the InChIKey of 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is FAEUPMVYFKLMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-2-3-4-9-7-11(5-6-12(9,13)14)8-15-10(16)17-11/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one?
7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 247.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 170720876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).