2-fluoro-2-(furan-2-yl)propanedioic acid

C7H5FO5 — CID 139618699

IUPAC2-fluoro-2-(furan-2-yl)propanedioic acid
SMILESO=C(O)C(F)(C(=O)O)c1ccco1
InChIInChI=1S/C7H5FO5/c8-7(5(9)10,6(11)12)4-2-1-3-13-4/h1-3H,(H,9,10)(H,11,12)
InChIKeyDHNHUPJKGOENHF-UHFFFAOYSA-N
MW188.11 g/mol
LogP0.61
Rot. Bonds3

About 2-fluoro-2-(furan-2-yl)propanedioic acid

2-fluoro-2-(furan-2-yl)propanedioic acid (PubChem CID 139618699) has the molecular formula C7H5FO5 and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-fluoro-2-(furan-2-yl)propanedioic acid.

Molecular Properties

Compound Name2-fluoro-2-(furan-2-yl)propanedioic acid
PubChem CID139618699
Molecular FormulaC7H5FO5
Molecular Weight188.11 g/mol
Exact Mass188.01
IUPAC Name2-fluoro-2-(furan-2-yl)propanedioic acid
SMILESO=C(O)C(F)(C(=O)O)c1ccco1
InChIInChI=1S/C7H5FO5/c8-7(5(9)10,6(11)12)4-2-1-3-13-4/h1-3H,(H,9,10)(H,11,12)
InChIKeyDHNHUPJKGOENHF-UHFFFAOYSA-N
XLogP0.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 50.61
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-(furan-2-yl)-2-methoxypropanoic acid
CID 83827168
2-cyclopropyl-2-(furan-2-yl)propanoic acid
CID 83828151
furan-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 157143973
3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol
CID 73069117
(4-fluorophenyl)-(furan-2-yl)-phenylmethanol
CID 117061851
3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol
CID 130061026
tris(furan-2-yl)methylsilane
CID 71354015
bis(furan-2-yl)methanediamine
CID 175922439
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-(furan-2-yl)-1-phenylpropan-1-ol
CID 63949160
2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 166000301
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(furan-2-yl)propanedioic acid?
The IUPAC name of 2-fluoro-2-(furan-2-yl)propanedioic acid (CID 139618699) is 2-fluoro-2-(furan-2-yl)propanedioic acid.
What is the SMILES notation for 2-fluoro-2-(furan-2-yl)propanedioic acid?
The canonical SMILES for 2-fluoro-2-(furan-2-yl)propanedioic acid is O=C(O)C(F)(C(=O)O)c1ccco1.
What is the InChIKey of 2-fluoro-2-(furan-2-yl)propanedioic acid?
The InChIKey is DHNHUPJKGOENHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO5/c8-7(5(9)10,6(11)12)4-2-1-3-13-4/h1-3H,(H,9,10)(H,11,12).
What are the key properties of 2-fluoro-2-(furan-2-yl)propanedioic acid?
2-fluoro-2-(furan-2-yl)propanedioic acid has a molecular weight of 188.11 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(furan-2-yl)propanedioic acid is sourced from PubChem (CID 139618699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).