5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one

C7H12F2N2O2 — CID 106492558

IUPAC5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESNCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-5(13-6(7)12)4-11-2-1-10/h5,11H,1-4,10H2
InChIKeyWBVIAKZPSGQDHF-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.51
Rot. Bonds4

About 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one

5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492558) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492558
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESNCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-5(13-6(7)12)4-11-2-1-10/h5,11H,1-4,10H2
InChIKeyWBVIAKZPSGQDHF-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide
CID 106237134
5-[(but-3-enylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492899
3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one
CID 106492532
5-[[2-(3,5-difluorophenyl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106492587
3-[2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]ethyl]-1,1-dimethylurea
CID 106492848
3,3-difluoro-5-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]oxolan-2-one
CID 106492966
3,3-difluoro-5-[(2-methylprop-2-enylamino)methyl]oxolan-2-one
CID 106492972
5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106046328
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one
CID 106492758
3,3-difluoro-5-[[(2-hydroxy-3-methylbutyl)amino]methyl]oxolan-2-one
CID 106492932
3,3-difluoro-5-[[(4-hydroxyphenyl)methylamino]methyl]oxolan-2-one
CID 106492962

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one (CID 106492558) is 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one is NCCNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is WBVIAKZPSGQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9)3-5(13-6(7)12)4-11-2-1-10/h5,11H,1-4,10H2.
What are the key properties of 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one?
5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one has a molecular weight of 194.18 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).