1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone

C13H21F3N2O — CID 125182142

IUPAC1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C)CC[C@H]2C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-10(19)18-7-4-12(5-8-18)9-17(2)6-3-11(12)13(14,15)16/h11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyCWVGBWMCWVSQKF-LLVKDONJSA-N
MW278.32 g/mol
LogP2.13
Rot. Bonds

About 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone

1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 125182142) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
PubChem CID125182142
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C)CC[C@H]2C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-10(19)18-7-4-12(5-8-18)9-17(2)6-3-11(12)13(14,15)16/h11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyCWVGBWMCWVSQKF-LLVKDONJSA-N
XLogP2.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (CID 125182142) is 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is CC(=O)N1CCC2(CC1)CN(C)CC[C@H]2C(F)(F)F.
What is the InChIKey of 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is CWVGBWMCWVSQKF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-10(19)18-7-4-12(5-8-18)9-17(2)6-3-11(12)13(14,15)16/h11H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 278.32 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 125182142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).