3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one

C9H13F2NO2 — CID 130719923

IUPAC3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCC1CC(F)(F)C1
InChIInChI=1S/C9H13F2NO2/c10-9(11)3-6(4-9)5-12-7-1-2-14-8(7)13/h6-7,12H,1-5H2
InChIKeyXPQLXFZYOCOROR-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.94
Rot. Bonds3

About 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one

3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one (PubChem CID 130719923) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one
PubChem CID130719923
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCC1CC(F)(F)C1
InChIInChI=1S/C9H13F2NO2/c10-9(11)3-6(4-9)5-12-7-1-2-14-8(7)13/h6-7,12H,1-5H2
InChIKeyXPQLXFZYOCOROR-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2,2-Trifluoroethylamino)oxolan-2-one
CID 43825721
3-[(3-Fluorocyclopentyl)amino]oxolan-2-one
CID 130649635
Methyl 2-{[(3,3-difluorocyclobutyl)methyl]amino}propanoate
CID 165440625
Methyl 2-{[(3,3-difluorocyclobutyl)methyl]amino}butanoate
CID 165440626
Ethyl 2-(oxetan-3-yl)-2-[(2,2,2-trifluoroethyl)amino]acetate
CID 165891590
N-(2-oxooxolan-3-yl)cyclobutanecarboxamide
CID 126998200
N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide
CID 130916857
3-(Cyclobutylmethylamino)oxolan-2-one
CID 130652699
3-[(3,3-Dimethylcyclobutyl)methylamino]oxolan-2-one
CID 130686004
3-(Cyclobutylmethylamino)-5-methyloxolan-2-one
CID 130693257
3-(Cyclobutylmethylamino)-3-methyloxolan-2-one
CID 131201283

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one (CID 130719923) is 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one is O=C1OCCC1NCC1CC(F)(F)C1.
What is the InChIKey of 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one?
The InChIKey is XPQLXFZYOCOROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c10-9(11)3-6(4-9)5-12-7-1-2-14-8(7)13/h6-7,12H,1-5H2.
What are the key properties of 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one?
3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one has a molecular weight of 205.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclobutyl)methylamino]oxolan-2-one is sourced from PubChem (CID 130719923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).