3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate

C9H11F2NO3 — CID 139567537

IUPAC3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate
SMILESO=C(OCC=C(F)F)C(=O)N1CCCC1
InChIInChI=1S/C9H11F2NO3/c10-7(11)3-6-15-9(14)8(13)12-4-1-2-5-12/h3H,1-2,4-6H2
InChIKeySQOAPSIARKZLLM-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.93
Rot. Bonds2

About 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate

3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate (PubChem CID 139567537) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Name3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate
PubChem CID139567537
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate
SMILESO=C(OCC=C(F)F)C(=O)N1CCCC1
InChIInChI=1S/C9H11F2NO3/c10-7(11)3-6-15-9(14)8(13)12-4-1-2-5-12/h3H,1-2,4-6H2
InChIKeySQOAPSIARKZLLM-UHFFFAOYSA-N
XLogP0.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-Difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
CID 139567529
3,3-Difluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567530
3,3-Difluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate
CID 139567531
3,3-Difluoroprop-2-enyl 2-(diethylamino)-2-oxoacetate
CID 139567534
3,3-Difluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
CID 139567535
3,3-Difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
CID 139567538
3,3-Difluoroprop-2-enyl 2-[bis(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567541
2-Fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567570
[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate
CID 139567583
Prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567585
2-Fluoroprop-2-enyl 2-[bis(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567596
Prop-2-enyl 2-[bis(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567603

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate?
The IUPAC name of 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate (CID 139567537) is 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate?
The canonical SMILES for 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate is O=C(OCC=C(F)F)C(=O)N1CCCC1.
What is the InChIKey of 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate?
The InChIKey is SQOAPSIARKZLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c10-7(11)3-6-15-9(14)8(13)12-4-1-2-5-12/h3H,1-2,4-6H2.
What are the key properties of 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate?
3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate has a molecular weight of 219.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-2-enyl 2-oxo-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 139567537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).