3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane

C15H25F3N2 — CID 64876489

IUPAC3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C2CC2)CNC2(CCCCC2)CN1CC(F)(F)F
InChIInChI=1S/C15H25F3N2/c1-13(12-5-6-12)9-19-14(7-3-2-4-8-14)10-20(13)11-15(16,17)18/h12,19H,2-11H2,1H3
InChIKeyIKGCLEBFLUINPS-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.33
Rot. Bonds2

About 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane

3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64876489) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64876489
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C2CC2)CNC2(CCCCC2)CN1CC(F)(F)F
InChIInChI=1S/C15H25F3N2/c1-13(12-5-6-12)9-19-14(7-3-2-4-8-14)10-20(13)11-15(16,17)18/h12,19H,2-11H2,1H3
InChIKeyIKGCLEBFLUINPS-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane (CID 64876489) is 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane is CC1(C2CC2)CNC2(CCCCC2)CN1CC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is IKGCLEBFLUINPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-13(12-5-6-12)9-19-14(7-3-2-4-8-14)10-20(13)11-15(16,17)18/h12,19H,2-11H2,1H3.
What are the key properties of 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64876489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).