9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane

C13H23F3N2 — CID 64871202

IUPAC9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-11-4-8-17-12(5-2-3-6-12)10-18(11)9-7-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyOOSMHDYIGLYSGQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.94
Rot. Bonds2

About 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane

9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 64871202) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane
PubChem CID64871202
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-11-4-8-17-12(5-2-3-6-12)10-18(11)9-7-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyOOSMHDYIGLYSGQ-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane (CID 64871202) is 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane is CC1CCNC2(CCCC2)CN1CCC(F)(F)F.
What is the InChIKey of 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is OOSMHDYIGLYSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-11-4-8-17-12(5-2-3-6-12)10-18(11)9-7-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane?
9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 264.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64871202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).