2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid

C13H10F2O3 — CID 81357652

IUPAC2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid
SMILESO=C(O)C(F)Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H10F2O3/c14-9-3-1-8(2-4-9)12-6-5-10(18-12)7-11(15)13(16)17/h1-6,11H,7H2,(H,16,17)
InChIKeyNKEXWGDDOBXQLG-UHFFFAOYSA-N
MW252.22 g/mol
LogP3.05
Rot. Bonds4

About 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid

2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid (PubChem CID 81357652) has the molecular formula C13H10F2O3 and a molecular weight of 252.22 g/mol. Its IUPAC name is 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid
PubChem CID81357652
Molecular FormulaC13H10F2O3
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid
SMILESO=C(O)C(F)Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H10F2O3/c14-9-3-1-8(2-4-9)12-6-5-10(18-12)7-11(15)13(16)17/h1-6,11H,7H2,(H,16,17)
InChIKeyNKEXWGDDOBXQLG-UHFFFAOYSA-N
XLogP3.05
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid
CID 122036744
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
CID 43723505
4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid
CID 82140567
(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
CID 79253494
2-chloro-5-[[5-(4-fluorophenyl)furan-2-yl]methyldiazenyl]benzoic acid
CID 91897850
2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid
CID 82161384
[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622197
(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
CID 40814315

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid?
The IUPAC name of 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid (CID 81357652) is 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid.
What is the SMILES notation for 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid?
The canonical SMILES for 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid is O=C(O)C(F)Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid?
The InChIKey is NKEXWGDDOBXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O3/c14-9-3-1-8(2-4-9)12-6-5-10(18-12)7-11(15)13(16)17/h1-6,11H,7H2,(H,16,17).
What are the key properties of 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid?
2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid has a molecular weight of 252.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid is sourced from PubChem (CID 81357652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).