2-fluoro-3-(furan-3-yl)prop-2-enoic acid

C7H5FO3 — CID 79726575

IUPAC2-fluoro-3-(furan-3-yl)prop-2-enoic acid
SMILESO=C(O)C(F)=Cc1ccoc1
InChIInChI=1S/C7H5FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-4H,(H,9,10)
InChIKeySXRISCUMGRFZBQ-UHFFFAOYSA-N
MW156.11 g/mol
LogP1.67
Rot. Bonds2

About 2-fluoro-3-(furan-3-yl)prop-2-enoic acid

2-fluoro-3-(furan-3-yl)prop-2-enoic acid (PubChem CID 79726575) has the molecular formula C7H5FO3 and a molecular weight of 156.11 g/mol. Its IUPAC name is 2-fluoro-3-(furan-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-fluoro-3-(furan-3-yl)prop-2-enoic acid
PubChem CID79726575
Molecular FormulaC7H5FO3
Molecular Weight156.11 g/mol
Exact Mass156.02
IUPAC Name2-fluoro-3-(furan-3-yl)prop-2-enoic acid
SMILESO=C(O)C(F)=Cc1ccoc1
InChIInChI=1S/C7H5FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-4H,(H,9,10)
InChIKeySXRISCUMGRFZBQ-UHFFFAOYSA-N
XLogP1.67
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(furan-3-yl)prop-2-enoic acid?
The IUPAC name of 2-fluoro-3-(furan-3-yl)prop-2-enoic acid (CID 79726575) is 2-fluoro-3-(furan-3-yl)prop-2-enoic acid.
What is the SMILES notation for 2-fluoro-3-(furan-3-yl)prop-2-enoic acid?
The canonical SMILES for 2-fluoro-3-(furan-3-yl)prop-2-enoic acid is O=C(O)C(F)=Cc1ccoc1.
What is the InChIKey of 2-fluoro-3-(furan-3-yl)prop-2-enoic acid?
The InChIKey is SXRISCUMGRFZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-4H,(H,9,10).
What are the key properties of 2-fluoro-3-(furan-3-yl)prop-2-enoic acid?
2-fluoro-3-(furan-3-yl)prop-2-enoic acid has a molecular weight of 156.11 g/mol, XLogP of 1.67, 2 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)prop-2-enoic acid is sourced from PubChem (CID 79726575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).