5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one

C12H19F2NO3 — CID 114105556

IUPAC5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
SMILESCCC1OCCC1CNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H19F2NO3/c1-2-10-8(3-4-17-10)6-15-7-9-5-12(13,14)11(16)18-9/h8-10,15H,2-7H2,1H3
InChIKeyJFZQZBKTTCSYAM-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.34
Rot. Bonds5

About 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one

5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 114105556) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
PubChem CID114105556
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
SMILESCCC1OCCC1CNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H19F2NO3/c1-2-10-8(3-4-17-10)6-15-7-9-5-12(13,14)11(16)18-9/h8-10,15H,2-7H2,1H3
InChIKeyJFZQZBKTTCSYAM-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
CID 106492964
5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106492476
3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one
CID 106492758
3,3-difluoro-5-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]oxolan-2-one
CID 106492966
5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492558
3,3-difluoro-5-[(2-methylprop-2-enylamino)methyl]oxolan-2-one
CID 106492972
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
CID 114118984
3,3-difluoro-5-[[(1-methylcyclopentyl)methylamino]methyl]oxolan-2-one
CID 106492632
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
CID 106492902
3,3-difluoro-5-[[(2-hydroxy-3-methylbutyl)amino]methyl]oxolan-2-one
CID 106492932
5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492650

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one (CID 114105556) is 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one is CCC1OCCC1CNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is JFZQZBKTTCSYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c1-2-10-8(3-4-17-10)6-15-7-9-5-12(13,14)11(16)18-9/h8-10,15H,2-7H2,1H3.
What are the key properties of 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one?
5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 263.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 114105556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).