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

C8H9FO3 — CID 81357755

IUPAC2-fluoro-3-(furan-3-yl)butanoic acid
SMILESCC(c1ccoc1)C(F)C(=O)O
InChIInChI=1S/C8H9FO3/c1-5(7(9)8(10)11)6-2-3-12-4-6/h2-5,7H,1H3,(H,10,11)
InChIKeyZSVBQEDQEFJQCW-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.81
Rot. Bonds3

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

2-fluoro-3-(furan-3-yl)butanoic acid (PubChem CID 81357755) has the molecular formula C8H9FO3 and a molecular weight of 172.16 g/mol. Its IUPAC name is 2-fluoro-3-(furan-3-yl)butanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(furan-3-yl)butanoic acid
PubChem CID81357755
Molecular FormulaC8H9FO3
Molecular Weight172.16 g/mol
Exact Mass172.05
IUPAC Name2-fluoro-3-(furan-3-yl)butanoic acid
SMILESCC(c1ccoc1)C(F)C(=O)O
InChIInChI=1S/C8H9FO3/c1-5(7(9)8(10)11)6-2-3-12-4-6/h2-5,7H,1H3,(H,10,11)
InChIKeyZSVBQEDQEFJQCW-UHFFFAOYSA-N
XLogP1.81
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.81
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)butanoic acid?
The IUPAC name of 2-fluoro-3-(furan-3-yl)butanoic acid (CID 81357755) is 2-fluoro-3-(furan-3-yl)butanoic acid.
What is the SMILES notation for 2-fluoro-3-(furan-3-yl)butanoic acid?
The canonical SMILES for 2-fluoro-3-(furan-3-yl)butanoic acid is CC(c1ccoc1)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-(furan-3-yl)butanoic acid?
The InChIKey is ZSVBQEDQEFJQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3/c1-5(7(9)8(10)11)6-2-3-12-4-6/h2-5,7H,1H3,(H,10,11).
What are the key properties of 2-fluoro-3-(furan-3-yl)butanoic acid?
2-fluoro-3-(furan-3-yl)butanoic acid has a molecular weight of 172.16 g/mol, XLogP of 1.81, 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)butanoic acid is sourced from PubChem (CID 81357755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).