3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene

C12H19F2NO — CID 169041604

IUPAC3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC(C)(C)C1=NOC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C12H19F2NO/c1-10(2,3)9-8-11(16-15-9)4-6-12(13,14)7-5-11/h4-8H2,1-3H3
InChIKeyOGGBRRMVVFKIOG-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.76
Rot. Bonds

About 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene

3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 169041604) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID169041604
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC(C)(C)C1=NOC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C12H19F2NO/c1-10(2,3)9-8-11(16-15-9)4-6-12(13,14)7-5-11/h4-8H2,1-3H3
InChIKeyOGGBRRMVVFKIOG-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 169041604) is 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene is CC(C)(C)C1=NOC2(CCC(F)(F)CC2)C1.
What is the InChIKey of 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is OGGBRRMVVFKIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c1-10(2,3)9-8-11(16-15-9)4-6-12(13,14)7-5-11/h4-8H2,1-3H3.
What are the key properties of 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene?
3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 231.29 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 169041604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).