2-fluoro-3-(furan-3-yl)propanoic acid

C7H7FO3 — CID 81357547

IUPAC2-fluoro-3-(furan-3-yl)propanoic acid
SMILESO=C(O)C(F)Cc1ccoc1
InChIInChI=1S/C7H7FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3H2,(H,9,10)
InChIKeyVEYAFIYXNFPVIP-UHFFFAOYSA-N
MW158.13 g/mol
LogP1.24
Rot. Bonds3

About 2-fluoro-3-(furan-3-yl)propanoic acid

2-fluoro-3-(furan-3-yl)propanoic acid (PubChem CID 81357547) has the molecular formula C7H7FO3 and a molecular weight of 158.13 g/mol. Its IUPAC name is 2-fluoro-3-(furan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(furan-3-yl)propanoic acid
PubChem CID81357547
Molecular FormulaC7H7FO3
Molecular Weight158.13 g/mol
Exact Mass158.04
IUPAC Name2-fluoro-3-(furan-3-yl)propanoic acid
SMILESO=C(O)C(F)Cc1ccoc1
InChIInChI=1S/C7H7FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3H2,(H,9,10)
InChIKeyVEYAFIYXNFPVIP-UHFFFAOYSA-N
XLogP1.24
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(furan-3-yl)propanoic acid?
The IUPAC name of 2-fluoro-3-(furan-3-yl)propanoic acid (CID 81357547) is 2-fluoro-3-(furan-3-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-(furan-3-yl)propanoic acid?
The canonical SMILES for 2-fluoro-3-(furan-3-yl)propanoic acid is O=C(O)C(F)Cc1ccoc1.
What is the InChIKey of 2-fluoro-3-(furan-3-yl)propanoic acid?
The InChIKey is VEYAFIYXNFPVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3H2,(H,9,10).
What are the key properties of 2-fluoro-3-(furan-3-yl)propanoic acid?
2-fluoro-3-(furan-3-yl)propanoic acid has a molecular weight of 158.13 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(furan-3-yl)propanoic acid is sourced from PubChem (CID 81357547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).