methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate

C8H11F2NO4 — CID 103514384

IUPACmethyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C(F)F
InChIInChI=1S/C8H11F2NO4/c1-14-8(13)5-4-15-3-2-11(5)7(12)6(9)10/h5-6H,2-4H2,1H3
InChIKeyWVNBQOOALGGPIM-UHFFFAOYSA-N
MW223.17 g/mol
LogP-0.35
Rot. Bonds2

About methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate

methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate (PubChem CID 103514384) has the molecular formula C8H11F2NO4 and a molecular weight of 223.17 g/mol. Its IUPAC name is methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
PubChem CID103514384
Molecular FormulaC8H11F2NO4
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC Namemethyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C(F)F
InChIInChI=1S/C8H11F2NO4/c1-14-8(13)5-4-15-3-2-11(5)7(12)6(9)10/h5-6H,2-4H2,1H3
InChIKeyWVNBQOOALGGPIM-UHFFFAOYSA-N
XLogP-0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
CID 104774828
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
CID 113247602
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851
methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate
CID 115869308

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate (CID 103514384) is methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)C(F)F.
What is the InChIKey of methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate?
The InChIKey is WVNBQOOALGGPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO4/c1-14-8(13)5-4-15-3-2-11(5)7(12)6(9)10/h5-6H,2-4H2,1H3.
What are the key properties of methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate?
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate has a molecular weight of 223.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate is sourced from PubChem (CID 103514384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).