methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate

C11H17F2NO5 — CID 103209835

IUPACmethyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CCOCC(F)F)CCO1
InChIInChI=1S/C11H17F2NO5/c1-17-11(16)8-6-14(3-5-19-8)10(15)2-4-18-7-9(12)13/h8-9H,2-7H2,1H3
InChIKeyJNRFHBKHWUFXJJ-UHFFFAOYSA-N
MW281.25 g/mol
LogP0.06
Rot. Bonds6

About methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate

methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate (PubChem CID 103209835) has the molecular formula C11H17F2NO5 and a molecular weight of 281.25 g/mol. Its IUPAC name is methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate
PubChem CID103209835
Molecular FormulaC11H17F2NO5
Molecular Weight281.25 g/mol
Exact Mass281.11
IUPAC Namemethyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CCOCC(F)F)CCO1
InChIInChI=1S/C11H17F2NO5/c1-17-11(16)8-6-14(3-5-19-8)10(15)2-4-18-7-9(12)13/h8-9H,2-7H2,1H3
InChIKeyJNRFHBKHWUFXJJ-UHFFFAOYSA-N
XLogP0.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate (CID 103209835) is methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)CCOCC(F)F)CCO1.
What is the InChIKey of methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate?
The InChIKey is JNRFHBKHWUFXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO5/c1-17-11(16)8-6-14(3-5-19-8)10(15)2-4-18-7-9(12)13/h8-9H,2-7H2,1H3.
What are the key properties of methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate?
methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate has a molecular weight of 281.25 g/mol, XLogP of 0.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(2,2-difluoroethoxy)propanoyl]morpholine-2-carboxylate is sourced from PubChem (CID 103209835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).