3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate

C9H11F2NO4 — CID 139567529

IUPAC3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
SMILESO=C(OCC=C(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H11F2NO4/c10-7(11)1-4-16-9(14)8(13)12-2-5-15-6-3-12/h1H,2-6H2
InChIKeyUQHISMPWQZGKNL-UHFFFAOYSA-N
MW235.19 g/mol
LogP0.17
Rot. Bonds2

About 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate

3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate (PubChem CID 139567529) has the molecular formula C9H11F2NO4 and a molecular weight of 235.19 g/mol. Its IUPAC name is 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Name3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
PubChem CID139567529
Molecular FormulaC9H11F2NO4
Molecular Weight235.19 g/mol
Exact Mass235.07
IUPAC Name3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
SMILESO=C(OCC=C(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H11F2NO4/c10-7(11)1-4-16-9(14)8(13)12-2-5-15-6-3-12/h1H,2-6H2
InChIKeyUQHISMPWQZGKNL-UHFFFAOYSA-N
XLogP0.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-pyrrolidin-1-ylacetate
CID 139567537
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-(diethylamino)-2-oxoacetate
CID 139567561
2-Fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567570
2,3,3-Trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567573
Prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567585
2-Fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
CID 139567591

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate (CID 139567529) is 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate is O=C(OCC=C(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is UQHISMPWQZGKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO4/c10-7(11)1-4-16-9(14)8(13)12-2-5-15-6-3-12/h1H,2-6H2.
What are the key properties of 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 235.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate is sourced from PubChem (CID 139567529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).