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

C11H18F2N2O — CID 67968738

IUPAC4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one
SMILESCC1C(C)C2NC(=O)N(CC(C)(F)F)CC12
InChIInChI=1S/C11H18F2N2O/c1-6-7(2)9-8(6)4-15(10(16)14-9)5-11(3,12)13/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyUZWDDYVUCAFVCE-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.94
Rot. Bonds2

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

4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one (PubChem CID 67968738) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one
PubChem CID67968738
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one
SMILESCC1C(C)C2NC(=O)N(CC(C)(F)F)CC12
InChIInChI=1S/C11H18F2N2O/c1-6-7(2)9-8(6)4-15(10(16)14-9)5-11(3,12)13/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyUZWDDYVUCAFVCE-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135
7,8-Dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one
CID 67968737
5-Methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 67976490
N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 115661011
(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 124192516
2-[1-(3,3-Difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 143215228
2-[(2S)-1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 145730556
1-Methyl-3-(4-methylpentyl)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]urea
CID 153623339
1-(3-Propan-2-ylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea
CID 156532374
N,2-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 167751504
(3S)-N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 172528626

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one?
The IUPAC name of 4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one (CID 67968738) is 4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one.
What is the SMILES notation for 4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one?
The canonical SMILES for 4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one is CC1C(C)C2NC(=O)N(CC(C)(F)F)CC12.
What is the InChIKey of 4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one?
The InChIKey is UZWDDYVUCAFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-6-7(2)9-8(6)4-15(10(16)14-9)5-11(3,12)13/h6-9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one?
4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one has a molecular weight of 232.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one is sourced from PubChem (CID 67968738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).