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

C9H15F2NO3 — CID 106492827

IUPAC3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one
SMILESCC(C)CONCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C9H15F2NO3/c1-6(2)5-14-12-4-7-3-9(10,11)8(13)15-7/h6-7,12H,3-5H2,1-2H3
InChIKeyDNPVPQCOQWIPGG-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.11
Rot. Bonds5

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

3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one (PubChem CID 106492827) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one
PubChem CID106492827
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one
SMILESCC(C)CONCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C9H15F2NO3/c1-6(2)5-14-12-4-7-3-9(10,11)8(13)15-7/h6-7,12H,3-5H2,1-2H3
InChIKeyDNPVPQCOQWIPGG-UHFFFAOYSA-N
XLogP1.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.11
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)-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-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
CID 106492828
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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one (CID 106492827) is 3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one is CC(C)CONCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one?
The InChIKey is DNPVPQCOQWIPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-6(2)5-14-12-4-7-3-9(10,11)8(13)15-7/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one has a molecular weight of 223.22 g/mol, XLogP of 1.11, 5 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-methylpropoxyamino)methyl]oxolan-2-one is sourced from PubChem (CID 106492827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).