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

C14H25F3N2 — CID 64838111

IUPAC3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CN(CC(F)(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C14H25F3N2/c1-11(2)12-8-19(10-14(15,16)17)13(9-18-12)6-4-3-5-7-13/h11-12,18H,3-10H2,1-2H3
InChIKeyRVTMSHCADSCQPE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds2

About 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane

3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64838111) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64838111
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CN(CC(F)(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C14H25F3N2/c1-11(2)12-8-19(10-14(15,16)17)13(9-18-12)6-4-3-5-7-13/h11-12,18H,3-10H2,1-2H3
InChIKeyRVTMSHCADSCQPE-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane (CID 64838111) is 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane is CC(C)C1CN(CC(F)(F)F)C2(CCCCC2)CN1.
What is the InChIKey of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is RVTMSHCADSCQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-11(2)12-8-19(10-14(15,16)17)13(9-18-12)6-4-3-5-7-13/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 278.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64838111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).