9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane

C12H21F3N2 — CID 64870018

IUPAC9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CC(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-10-4-7-16-11(5-2-3-6-11)8-17(10)9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyIXJSVJLCGUHFBV-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.55
Rot. Bonds1

About 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane

9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 64870018) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane
PubChem CID64870018
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CC(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-10-4-7-16-11(5-2-3-6-11)8-17(10)9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyIXJSVJLCGUHFBV-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane (CID 64870018) is 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane is CC1CCNC2(CCCC2)CN1CC(F)(F)F.
What is the InChIKey of 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is IXJSVJLCGUHFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-10-4-7-16-11(5-2-3-6-11)8-17(10)9-12(13,14)15/h10,16H,2-9H2,1H3.
What are the key properties of 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane?
9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 250.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64870018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).