3-(trifluoromethyl)-8-azaspiro[4.5]decane

C10H16F3N — CID 54305096

IUPAC3-(trifluoromethyl)-8-azaspiro[4.5]decane
SMILESFC(F)(F)C1CCC2(CCNCC2)C1
InChIInChI=1S/C10H16F3N/c11-10(12,13)8-1-2-9(7-8)3-5-14-6-4-9/h8,14H,1-7H2
InChIKeyCIIGQSZLXUTXSM-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.72
Rot. Bonds

About 3-(trifluoromethyl)-8-azaspiro[4.5]decane

3-(trifluoromethyl)-8-azaspiro[4.5]decane (PubChem CID 54305096) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(trifluoromethyl)-8-azaspiro[4.5]decane
PubChem CID54305096
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name3-(trifluoromethyl)-8-azaspiro[4.5]decane
SMILESFC(F)(F)C1CCC2(CCNCC2)C1
InChIInChI=1S/C10H16F3N/c11-10(12,13)8-1-2-9(7-8)3-5-14-6-4-9/h8,14H,1-7H2
InChIKeyCIIGQSZLXUTXSM-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-8-azaspiro[4.5]decane?
The IUPAC name of 3-(trifluoromethyl)-8-azaspiro[4.5]decane (CID 54305096) is 3-(trifluoromethyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(trifluoromethyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(trifluoromethyl)-8-azaspiro[4.5]decane is FC(F)(F)C1CCC2(CCNCC2)C1.
What is the InChIKey of 3-(trifluoromethyl)-8-azaspiro[4.5]decane?
The InChIKey is CIIGQSZLXUTXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)8-1-2-9(7-8)3-5-14-6-4-9/h8,14H,1-7H2.
What are the key properties of 3-(trifluoromethyl)-8-azaspiro[4.5]decane?
3-(trifluoromethyl)-8-azaspiro[4.5]decane has a molecular weight of 207.24 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 54305096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).