7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one

C10H15F3N2O — CID 67968737

IUPAC7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one
SMILESCC1C(C)C2NC(=O)N(CC(F)(F)F)CC12
InChIInChI=1S/C10H15F3N2O/c1-5-6(2)8-7(5)3-15(9(16)14-8)4-10(11,12)13/h5-8H,3-4H2,1-2H3,(H,14,16)
InChIKeyBJBIAKHDHQNDJS-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.84
Rot. Bonds1

About 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one

7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one (PubChem CID 67968737) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one.

Molecular Properties

Compound Name7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one
PubChem CID67968737
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one
SMILESCC1C(C)C2NC(=O)N(CC(F)(F)F)CC12
InChIInChI=1S/C10H15F3N2O/c1-5-6(2)8-7(5)3-15(9(16)14-8)4-10(11,12)13/h5-8H,3-4H2,1-2H3,(H,14,16)
InChIKeyBJBIAKHDHQNDJS-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one?
The IUPAC name of 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one (CID 67968737) is 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one.
What is the SMILES notation for 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one?
The canonical SMILES for 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one is CC1C(C)C2NC(=O)N(CC(F)(F)F)CC12.
What is the InChIKey of 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one?
The InChIKey is BJBIAKHDHQNDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-5-6(2)8-7(5)3-15(9(16)14-8)4-10(11,12)13/h5-8H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one?
7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one has a molecular weight of 236.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one is sourced from PubChem (CID 67968737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).