3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one

C10H15F2NO2 — CID 106492902

IUPAC3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
SMILESCC1CC(NCC2CC(F)(F)C(=O)O2)C1
InChIInChI=1S/C10H15F2NO2/c1-6-2-7(3-6)13-5-8-4-10(11,12)9(14)15-8/h6-8,13H,2-5H2,1H3
InChIKeyMTVCGOGWBFIPSC-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.33
Rot. Bonds3

About 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one

3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one (PubChem CID 106492902) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
PubChem CID106492902
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
SMILESCC1CC(NCC2CC(F)(F)C(=O)O2)C1
InChIInChI=1S/C10H15F2NO2/c1-6-2-7(3-6)13-5-8-4-10(11,12)9(14)15-8/h6-8,13H,2-5H2,1H3
InChIKeyMTVCGOGWBFIPSC-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-5-[[(2-methylcyclohexyl)amino]methyl]oxolan-2-one
CID 106492308
3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 106492708
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492809
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106492476
5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492650
5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492558
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
CID 114118984
3,3-difluoro-5-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]oxolan-2-one
CID 106189900
3,3-difluoro-5-[(2-methylprop-2-enylamino)methyl]oxolan-2-one
CID 106492972
3,3-difluoro-5-[[(1-methylcyclopentyl)methylamino]methyl]oxolan-2-one
CID 106492632
3-[2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]ethyl]-1,1-dimethylurea
CID 106492848

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one (CID 106492902) is 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one is CC1CC(NCC2CC(F)(F)C(=O)O2)C1.
What is the InChIKey of 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one?
The InChIKey is MTVCGOGWBFIPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-6-2-7(3-6)13-5-8-4-10(11,12)9(14)15-8/h6-8,13H,2-5H2,1H3.
What are the key properties of 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one?
3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one has a molecular weight of 219.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one is sourced from PubChem (CID 106492902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).