3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane

C10H16F3NO — CID 63901508

IUPAC3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESFC(F)(F)C1CNC2(CCCCC2)CO1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)8-6-14-9(7-15-8)4-2-1-3-5-9/h8,14H,1-7H2
InChIKeyXVJAPDZISPGYFL-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.24
Rot. Bonds

About 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane

3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 63901508) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane
PubChem CID63901508
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESFC(F)(F)C1CNC2(CCCCC2)CO1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)8-6-14-9(7-15-8)4-2-1-3-5-9/h8,14H,1-7H2
InChIKeyXVJAPDZISPGYFL-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane (CID 63901508) is 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane is FC(F)(F)C1CNC2(CCCCC2)CO1.
What is the InChIKey of 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is XVJAPDZISPGYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)8-6-14-9(7-15-8)4-2-1-3-5-9/h8,14H,1-7H2.
What are the key properties of 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane?
3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 223.24 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 63901508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).