4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane

C11H19F3N2 — CID 64833867

IUPAC4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESFC(F)(F)CN1CCNC2(CCCCC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)9-16-7-6-15-10(8-16)4-2-1-3-5-10/h15H,1-9H2
InChIKeySPVSCGAITJPGGM-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.16
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane

4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64833867) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64833867
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESFC(F)(F)CN1CCNC2(CCCCC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)9-16-7-6-15-10(8-16)4-2-1-3-5-10/h15H,1-9H2
InChIKeySPVSCGAITJPGGM-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane (CID 64833867) is 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane is FC(F)(F)CN1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is SPVSCGAITJPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)9-16-7-6-15-10(8-16)4-2-1-3-5-10/h15H,1-9H2.
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 236.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64833867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).