4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one

C10H15F3N2O — CID 178098915

IUPAC4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one
SMILESCC(C)N1C(=O)N(CC(F)(F)F)CC12CC2
InChIInChI=1S/C10H15F3N2O/c1-7(2)15-8(16)14(6-10(11,12)13)5-9(15)3-4-9/h7H,3-6H2,1-2H3
InChIKeyKWPLBFARBCWUCE-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.23
Rot. Bonds2

About 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one

4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one (PubChem CID 178098915) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one
PubChem CID178098915
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one
SMILESCC(C)N1C(=O)N(CC(F)(F)F)CC12CC2
InChIInChI=1S/C10H15F3N2O/c1-7(2)15-8(16)14(6-10(11,12)13)5-9(15)3-4-9/h7H,3-6H2,1-2H3
InChIKeyKWPLBFARBCWUCE-UHFFFAOYSA-N
XLogP2.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one?
The IUPAC name of 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one (CID 178098915) is 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one.
What is the SMILES notation for 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one?
The canonical SMILES for 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one is CC(C)N1C(=O)N(CC(F)(F)F)CC12CC2.
What is the InChIKey of 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one?
The InChIKey is KWPLBFARBCWUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7(2)15-8(16)14(6-10(11,12)13)5-9(15)3-4-9/h7H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one?
4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one has a molecular weight of 236.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one is sourced from PubChem (CID 178098915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).