(5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one

C12H19F3N2O — CID 97406882

IUPAC(5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC2(CC1)CN(C)C(=O)C[C@@H]2C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-16-5-3-11(4-6-16)8-17(2)10(18)7-9(11)12(13,14)15/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYIFKZVNHDALZTR-VIFPVBQESA-N
MW264.29 g/mol
LogP1.74
Rot. Bonds

About (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one

(5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97406882) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97406882
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name(5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC2(CC1)CN(C)C(=O)C[C@@H]2C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-16-5-3-11(4-6-16)8-17(2)10(18)7-9(11)12(13,14)15/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYIFKZVNHDALZTR-VIFPVBQESA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97406882) is (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one is CN1CCC2(CC1)CN(C)C(=O)C[C@@H]2C(F)(F)F.
What is the InChIKey of (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YIFKZVNHDALZTR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-16-5-3-11(4-6-16)8-17(2)10(18)7-9(11)12(13,14)15/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one?
(5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 264.29 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97406882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).