5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one

C12H20F2N2O3 — CID 106492964

IUPAC5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
SMILESCCN1CCOC(CNCC2CC(F)(F)C(=O)O2)C1
InChIInChI=1S/C12H20F2N2O3/c1-2-16-3-4-18-10(8-16)7-15-6-9-5-12(13,14)11(17)19-9/h9-10,15H,2-8H2,1H3
InChIKeyBGLUMDYYGRNYBH-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.25
Rot. Bonds5

About 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one

5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492964) has the molecular formula C12H20F2N2O3 and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
PubChem CID106492964
Molecular FormulaC12H20F2N2O3
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
SMILESCCN1CCOC(CNCC2CC(F)(F)C(=O)O2)C1
InChIInChI=1S/C12H20F2N2O3/c1-2-16-3-4-18-10(8-16)7-15-6-9-5-12(13,14)11(17)19-9/h9-10,15H,2-8H2,1H3
InChIKeyBGLUMDYYGRNYBH-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
CID 114105556
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
2-[(4-ethylmorpholin-2-yl)methylamino]-N,N-dimethylacetamide
CID 78960517
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106128851
3,3-difluoro-5-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]oxolan-2-one
CID 106492966
1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine
CID 81040945
N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79165106
3,3-difluoro-5-[[(1-methylcyclopentyl)methylamino]methyl]oxolan-2-one
CID 106492632
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one (CID 106492964) is 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one is CCN1CCOC(CNCC2CC(F)(F)C(=O)O2)C1.
What is the InChIKey of 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is BGLUMDYYGRNYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3/c1-2-16-3-4-18-10(8-16)7-15-6-9-5-12(13,14)11(17)19-9/h9-10,15H,2-8H2,1H3.
What are the key properties of 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one?
5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 278.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).