2-fluoro-2-(4-fluorophenyl)propanedioic acid

C9H6F2O4 — CID 139618704

IUPAC2-fluoro-2-(4-fluorophenyl)propanedioic acid
SMILESO=C(O)C(F)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C9H6F2O4/c10-6-3-1-5(2-4-6)9(11,7(12)13)8(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyQBXQSZDVRUTHKG-UHFFFAOYSA-N
MW216.14 g/mol
LogP1.16
Rot. Bonds3

About 2-fluoro-2-(4-fluorophenyl)propanedioic acid

2-fluoro-2-(4-fluorophenyl)propanedioic acid (PubChem CID 139618704) has the molecular formula C9H6F2O4 and a molecular weight of 216.14 g/mol. Its IUPAC name is 2-fluoro-2-(4-fluorophenyl)propanedioic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-fluorophenyl)propanedioic acid
PubChem CID139618704
Molecular FormulaC9H6F2O4
Molecular Weight216.14 g/mol
Exact Mass216.02
IUPAC Name2-fluoro-2-(4-fluorophenyl)propanedioic acid
SMILESO=C(O)C(F)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C9H6F2O4/c10-6-3-1-5(2-4-6)9(11,7(12)13)8(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyQBXQSZDVRUTHKG-UHFFFAOYSA-N
XLogP1.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid
CID 70123452
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323
2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636369
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 130618697
2-(4-fluorophenyl)-2-hydroxybutanedioic acid
CID 150762531
bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636363
tris(4-fluorophenyl)methyl 2,2,2-trifluoroacetate
CID 71429877
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570
2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
CID 62398213
2-[2-(4-fluorophenyl)butan-2-yl]propanedioic acid
CID 139635434

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-fluorophenyl)propanedioic acid?
The IUPAC name of 2-fluoro-2-(4-fluorophenyl)propanedioic acid (CID 139618704) is 2-fluoro-2-(4-fluorophenyl)propanedioic acid.
What is the SMILES notation for 2-fluoro-2-(4-fluorophenyl)propanedioic acid?
The canonical SMILES for 2-fluoro-2-(4-fluorophenyl)propanedioic acid is O=C(O)C(F)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-2-(4-fluorophenyl)propanedioic acid?
The InChIKey is QBXQSZDVRUTHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O4/c10-6-3-1-5(2-4-6)9(11,7(12)13)8(14)15/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 2-fluoro-2-(4-fluorophenyl)propanedioic acid?
2-fluoro-2-(4-fluorophenyl)propanedioic acid has a molecular weight of 216.14 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-fluorophenyl)propanedioic acid is sourced from PubChem (CID 139618704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).