2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate

C9H12FNO4 — CID 139567594

IUPAC2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
SMILESC=C(F)COC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H12FNO4/c1-7(10)6-15-9(13)8(12)11-2-4-14-5-3-11/h1-6H2
InChIKeyWYAHRQMOQLATKD-UHFFFAOYSA-N
MW217.20 g/mol
LogP-0.13
Rot. Bonds2

About 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate

2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate (PubChem CID 139567594) has the molecular formula C9H12FNO4 and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Name2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
PubChem CID139567594
Molecular FormulaC9H12FNO4
Molecular Weight217.20 g/mol
Exact Mass217.08
IUPAC Name2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
SMILESC=C(F)COC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H12FNO4/c1-7(10)6-15-9(13)8(12)11-2-4-14-5-3-11/h1-6H2
InChIKeyWYAHRQMOQLATKD-UHFFFAOYSA-N
XLogP-0.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-0.13
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-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-(diethylamino)-2-oxoacetate
CID 139567534
3,3-Difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
CID 139567538
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-Fluoroprop-2-enyl 2-[bis(cyanomethyl)amino]-2-oxoacetate
CID 139567571
Prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567585
2-Fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
CID 139567589
2-Fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
CID 139567591
2-Fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate
CID 139567592
2-Fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567595

Frequently Asked Questions

What is the IUPAC name of 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate (CID 139567594) is 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate is C=C(F)COC(=O)C(=O)N1CCOCC1.
What is the InChIKey of 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is WYAHRQMOQLATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO4/c1-7(10)6-15-9(13)8(12)11-2-4-14-5-3-11/h1-6H2.
What are the key properties of 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 217.20 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate is sourced from PubChem (CID 139567594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).