diethyl 2-(fluoromethoxy)propanedioate

C8H13FO5 — CID 71623533

IUPACdiethyl 2-(fluoromethoxy)propanedioate
SMILESCCOC(=O)C(OCF)C(=O)OCC
InChIInChI=1S/C8H13FO5/c1-3-12-7(10)6(14-5-9)8(11)13-4-2/h6H,3-5H2,1-2H3
InChIKeyYBSFJVDFFDPHMT-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.42
Rot. Bonds6

About diethyl 2-(fluoromethoxy)propanedioate

diethyl 2-(fluoromethoxy)propanedioate (PubChem CID 71623533) has the molecular formula C8H13FO5 and a molecular weight of 208.18 g/mol. Its IUPAC name is diethyl 2-(fluoromethoxy)propanedioate.

Molecular Properties

Compound Namediethyl 2-(fluoromethoxy)propanedioate
PubChem CID71623533
Molecular FormulaC8H13FO5
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Namediethyl 2-(fluoromethoxy)propanedioate
SMILESCCOC(=O)C(OCF)C(=O)OCC
InChIInChI=1S/C8H13FO5/c1-3-12-7(10)6(14-5-9)8(11)13-4-2/h6H,3-5H2,1-2H3
InChIKeyYBSFJVDFFDPHMT-UHFFFAOYSA-N
XLogP0.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-but-3-enoxypropanedioate
CID 88610894
ethyl (2S)-2,3-difluoropropanoate
CID 129363096
3-ethoxy-2-(fluoromethyl)-3-oxopropanoate
CID 71332400
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 2,3,5-trifluoropentanoate
CID 174529809
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
1-O-ethyl 3-O-methyl (2S)-2-methoxypropanedioate
CID 97304780
ethyl 2-butoxy-3-oxobutanoate
CID 87813852
ethyl 2-amino-4-fluoro-3-hydroxybutanoate
CID 71346341
difluoromethane;ethyl fluoro carbonate
CID 175519829
CID 175796855
CID 175796855
diethyl 2-(2-piperidin-1-ylethoxy)propanedioate
CID 57233413

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(fluoromethoxy)propanedioate?
The IUPAC name of diethyl 2-(fluoromethoxy)propanedioate (CID 71623533) is diethyl 2-(fluoromethoxy)propanedioate.
What is the SMILES notation for diethyl 2-(fluoromethoxy)propanedioate?
The canonical SMILES for diethyl 2-(fluoromethoxy)propanedioate is CCOC(=O)C(OCF)C(=O)OCC.
What is the InChIKey of diethyl 2-(fluoromethoxy)propanedioate?
The InChIKey is YBSFJVDFFDPHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO5/c1-3-12-7(10)6(14-5-9)8(11)13-4-2/h6H,3-5H2,1-2H3.
What are the key properties of diethyl 2-(fluoromethoxy)propanedioate?
diethyl 2-(fluoromethoxy)propanedioate has a molecular weight of 208.18 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(fluoromethoxy)propanedioate is sourced from PubChem (CID 71623533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).