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

C7H8F5NO3 — CID 106492828

IUPAC3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
SMILESO=C1OC(CNOCC(F)(F)F)CC1(F)F
InChIInChI=1S/C7H8F5NO3/c8-6(9)1-4(16-5(6)14)2-13-15-3-7(10,11)12/h4,13H,1-3H2
InChIKeyGBKZTSHNWNLJJI-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.02
Rot. Bonds4

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

3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one (PubChem CID 106492828) has the molecular formula C7H8F5NO3 and a molecular weight of 249.13 g/mol. Its IUPAC name is 3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
PubChem CID106492828
Molecular FormulaC7H8F5NO3
Molecular Weight249.13 g/mol
Exact Mass249.04
IUPAC Name3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
SMILESO=C1OC(CNOCC(F)(F)F)CC1(F)F
InChIInChI=1S/C7H8F5NO3/c8-6(9)1-4(16-5(6)14)2-13-15-3-7(10,11)12/h4,13H,1-3H2
InChIKeyGBKZTSHNWNLJJI-UHFFFAOYSA-N
XLogP1.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Aminomethyl)dihydrofuran-2(3H)-one
CID 9855462
5-(Aminomethyl)-3,3-difluorooxolan-2-one
CID 106492211
3,3-Difluoro-5-[(methoxyamino)methyl]oxolan-2-one
CID 106492678
5-[(Ethoxyamino)methyl]-3,3-difluorooxolan-2-one
CID 106492680
3,3-Difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one
CID 106492827
3,3-Difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one
CID 106492829
3,3-Difluoro-5-[[(2-methylpropan-2-yl)oxyamino]methyl]oxolan-2-one
CID 106492830
5-[(Cyclopentyloxyamino)methyl]-3,3-difluorooxolan-2-one
CID 106492852
2-[(4,4-Difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide
CID 106492855
(5S)-5-(aminomethyl)oxolan-2-one
CID 10011873
(5R)-5-(aminomethyl)oxolan-2-one
CID 10351677

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one (CID 106492828) is 3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one is O=C1OC(CNOCC(F)(F)F)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one?
The InChIKey is GBKZTSHNWNLJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO3/c8-6(9)1-4(16-5(6)14)2-13-15-3-7(10,11)12/h4,13H,1-3H2.
What are the key properties of 3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one has a molecular weight of 249.13 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one is sourced from PubChem (CID 106492828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).