6-(trifluoromethyl)-4-azaspiro[2.5]octane

C8H12F3N — CID 136575476

IUPAC6-(trifluoromethyl)-4-azaspiro[2.5]octane
SMILESFC(F)(F)C1CCC2(CC2)NC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-1-2-7(3-4-7)12-5-6/h6,12H,1-5H2
InChIKeyBQGOUWKHQULJGX-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.08
Rot. Bonds

About 6-(trifluoromethyl)-4-azaspiro[2.5]octane

6-(trifluoromethyl)-4-azaspiro[2.5]octane (PubChem CID 136575476) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-azaspiro[2.5]octane
PubChem CID136575476
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name6-(trifluoromethyl)-4-azaspiro[2.5]octane
SMILESFC(F)(F)C1CCC2(CC2)NC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-1-2-7(3-4-7)12-5-6/h6,12H,1-5H2
InChIKeyBQGOUWKHQULJGX-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-azaspiro[2.5]octane?
The IUPAC name of 6-(trifluoromethyl)-4-azaspiro[2.5]octane (CID 136575476) is 6-(trifluoromethyl)-4-azaspiro[2.5]octane.
What is the SMILES notation for 6-(trifluoromethyl)-4-azaspiro[2.5]octane?
The canonical SMILES for 6-(trifluoromethyl)-4-azaspiro[2.5]octane is FC(F)(F)C1CCC2(CC2)NC1.
What is the InChIKey of 6-(trifluoromethyl)-4-azaspiro[2.5]octane?
The InChIKey is BQGOUWKHQULJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)6-1-2-7(3-4-7)12-5-6/h6,12H,1-5H2.
What are the key properties of 6-(trifluoromethyl)-4-azaspiro[2.5]octane?
6-(trifluoromethyl)-4-azaspiro[2.5]octane has a molecular weight of 179.18 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-azaspiro[2.5]octane is sourced from PubChem (CID 136575476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).