2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane

C17H23F3N2 — CID 166899268

IUPAC2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane
SMILESCc1ccc(N2CCC3(CC2)CN(C)C3)c(CC(F)(F)F)c1
InChIInChI=1S/C17H23F3N2/c1-13-3-4-15(14(9-13)10-17(18,19)20)22-7-5-16(6-8-22)11-21(2)12-16/h3-4,9H,5-8,10-12H2,1-2H3
InChIKeyUKOWDFKJXNRDHD-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.63
Rot. Bonds2

About 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane

2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 166899268) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane
PubChem CID166899268
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane
SMILESCc1ccc(N2CCC3(CC2)CN(C)C3)c(CC(F)(F)F)c1
InChIInChI=1S/C17H23F3N2/c1-13-3-4-15(14(9-13)10-17(18,19)20)22-7-5-16(6-8-22)11-21(2)12-16/h3-4,9H,5-8,10-12H2,1-2H3
InChIKeyUKOWDFKJXNRDHD-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane (CID 166899268) is 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane is Cc1ccc(N2CCC3(CC2)CN(C)C3)c(CC(F)(F)F)c1.
What is the InChIKey of 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is UKOWDFKJXNRDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2/c1-13-3-4-15(14(9-13)10-17(18,19)20)22-7-5-16(6-8-22)11-21(2)12-16/h3-4,9H,5-8,10-12H2,1-2H3.
What are the key properties of 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane?
2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 312.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 166899268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).