4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane

C9H15F2NO — CID 155894212

IUPAC4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane
SMILESFC1(F)CCOC2(CCNCC2)C1
InChIInChI=1S/C9H15F2NO/c10-9(11)3-6-13-8(7-9)1-4-12-5-2-8/h12H,1-7H2
InChIKeyXVLDITWIPBVELZ-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.55
Rot. Bonds

About 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane

4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 155894212) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane
PubChem CID155894212
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane
SMILESFC1(F)CCOC2(CCNCC2)C1
InChIInChI=1S/C9H15F2NO/c10-9(11)3-6-13-8(7-9)1-4-12-5-2-8/h12H,1-7H2
InChIKeyXVLDITWIPBVELZ-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane (CID 155894212) is 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane is FC1(F)CCOC2(CCNCC2)C1.
What is the InChIKey of 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is XVLDITWIPBVELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)3-6-13-8(7-9)1-4-12-5-2-8/h12H,1-7H2.
What are the key properties of 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane?
4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 191.22 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 155894212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).