10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane

C13H23F3N2 — CID 64871366

IUPAC10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1CC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-11-5-8-17-12(6-3-2-4-7-12)9-18(11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyWQAXNOQMTFBWCK-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.94
Rot. Bonds1

About 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane

10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 64871366) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID64871366
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1CC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-11-5-8-17-12(6-3-2-4-7-12)9-18(11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyWQAXNOQMTFBWCK-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane (CID 64871366) is 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane is CC1CCNC2(CCCCC2)CN1CC(F)(F)F.
What is the InChIKey of 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is WQAXNOQMTFBWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-11-5-8-17-12(6-3-2-4-7-12)9-18(11)10-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane?
10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 264.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64871366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).