4-(2,4-difluorophenyl)-4-oxobutanoic acid

C10H8F2O3 — CID 2774081

IUPAC4-(2,4-difluorophenyl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
InChIKeyOKYUHFSCTFNDFB-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.01
Rot. Bonds4

About 4-(2,4-difluorophenyl)-4-oxobutanoic acid

4-(2,4-difluorophenyl)-4-oxobutanoic acid (PubChem CID 2774081) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-4-oxobutanoic acid
PubChem CID2774081
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name4-(2,4-difluorophenyl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
InChIKeyOKYUHFSCTFNDFB-UHFFFAOYSA-N
XLogP2.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-4-oxobutanoic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-4-oxobutanoic acid (CID 2774081) is 4-(2,4-difluorophenyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-4-oxobutanoic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-4-oxobutanoic acid is O=C(O)CCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-4-oxobutanoic acid?
The InChIKey is OKYUHFSCTFNDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15).
What are the key properties of 4-(2,4-difluorophenyl)-4-oxobutanoic acid?
4-(2,4-difluorophenyl)-4-oxobutanoic acid has a molecular weight of 214.17 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-4-oxobutanoic acid is sourced from PubChem (CID 2774081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).