6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane

C8H12F3NO — CID 139026461

IUPAC6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane
SMILESCOC1(C(F)(F)F)CC2(CNC2)C1
InChIInChI=1S/C8H12F3NO/c1-13-7(8(9,10)11)2-6(3-7)4-12-5-6/h12H,2-5H2,1H3
InChIKeyDEDKPFSXACNPJH-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.32
Rot. Bonds1

About 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane

6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane (PubChem CID 139026461) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane
PubChem CID139026461
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane
SMILESCOC1(C(F)(F)F)CC2(CNC2)C1
InChIInChI=1S/C8H12F3NO/c1-13-7(8(9,10)11)2-6(3-7)4-12-5-6/h12H,2-5H2,1H3
InChIKeyDEDKPFSXACNPJH-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane?
The IUPAC name of 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane (CID 139026461) is 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane is COC1(C(F)(F)F)CC2(CNC2)C1.
What is the InChIKey of 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane?
The InChIKey is DEDKPFSXACNPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-13-7(8(9,10)11)2-6(3-7)4-12-5-6/h12H,2-5H2,1H3.
What are the key properties of 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane?
6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane has a molecular weight of 195.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 139026461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).