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

C9H13F2NO — CID 170219286

IUPAC8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C9H13F2NO/c1-7-6-8(13-12-7)2-4-9(10,11)5-3-8/h2-6H2,1H3
InChIKeyNJKYHIYTAIOLSQ-UHFFFAOYSA-N
MW189.20 g/mol
LogP2.73
Rot. Bonds

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

8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 170219286) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID170219286
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C9H13F2NO/c1-7-6-8(13-12-7)2-4-9(10,11)5-3-8/h2-6H2,1H3
InChIKeyNJKYHIYTAIOLSQ-UHFFFAOYSA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 170219286) is 8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene is CC1=NOC2(CCC(F)(F)CC2)C1.
What is the InChIKey of 8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is NJKYHIYTAIOLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-7-6-8(13-12-7)2-4-9(10,11)5-3-8/h2-6H2,1H3.
What are the key properties of 8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
8,8-difluoro-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 189.20 g/mol, XLogP of 2.73, 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-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 170219286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).