2-fluoro-2-(2-methoxyethyl)propanedioic acid

C6H9FO5 — CID 122239756

IUPAC2-fluoro-2-(2-methoxyethyl)propanedioic acid
SMILESCOCCC(F)(C(=O)O)C(=O)O
InChIInChI=1S/C6H9FO5/c1-12-3-2-6(7,4(8)9)5(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyMBJYZIWJVZZWBG-UHFFFAOYSA-N
MW180.13 g/mol
LogP-0.10
Rot. Bonds5

About 2-fluoro-2-(2-methoxyethyl)propanedioic acid

2-fluoro-2-(2-methoxyethyl)propanedioic acid (PubChem CID 122239756) has the molecular formula C6H9FO5 and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-fluoro-2-(2-methoxyethyl)propanedioic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-methoxyethyl)propanedioic acid
PubChem CID122239756
Molecular FormulaC6H9FO5
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name2-fluoro-2-(2-methoxyethyl)propanedioic acid
SMILESCOCCC(F)(C(=O)O)C(=O)O
InChIInChI=1S/C6H9FO5/c1-12-3-2-6(7,4(8)9)5(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyMBJYZIWJVZZWBG-UHFFFAOYSA-N
XLogP-0.10
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-3-hydroxy-5-methoxy-3-methylpentanoic acid
CID 62398662
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid
CID 106487407
2-cyano-4-methoxy-2-(2-methoxyethyl)butanoic acid;methyl 2-cyano-4-methoxy-2-(2-methoxyethyl)butanoate
CID 161483435
3-fluoro-1-methoxy-4-oxopentane-3-sulfonic acid
CID 139293497
3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid
CID 157318705
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
methyl 2,2-difluoro-3-methoxypropanoate
CID 2769543
1,1,1-trifluoro-4-methoxybutan-2-one
CID 62962965
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 79792013

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-methoxyethyl)propanedioic acid?
The IUPAC name of 2-fluoro-2-(2-methoxyethyl)propanedioic acid (CID 122239756) is 2-fluoro-2-(2-methoxyethyl)propanedioic acid.
What is the SMILES notation for 2-fluoro-2-(2-methoxyethyl)propanedioic acid?
The canonical SMILES for 2-fluoro-2-(2-methoxyethyl)propanedioic acid is COCCC(F)(C(=O)O)C(=O)O.
What is the InChIKey of 2-fluoro-2-(2-methoxyethyl)propanedioic acid?
The InChIKey is MBJYZIWJVZZWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO5/c1-12-3-2-6(7,4(8)9)5(10)11/h2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-fluoro-2-(2-methoxyethyl)propanedioic acid?
2-fluoro-2-(2-methoxyethyl)propanedioic acid has a molecular weight of 180.13 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-methoxyethyl)propanedioic acid is sourced from PubChem (CID 122239756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).