2-fluoro-2-(furan-2-ylmethoxy)acetic acid

C7H7FO4 — CID 79357493

IUPAC2-fluoro-2-(furan-2-ylmethoxy)acetic acid
SMILESO=C(O)C(F)OCc1ccco1
InChIInChI=1S/C7H7FO4/c8-6(7(9)10)12-4-5-2-1-3-11-5/h1-3,6H,4H2,(H,9,10)
InChIKeyUUTBIYCIUOAIOU-UHFFFAOYSA-N
MW174.13 g/mol
LogP1.18
Rot. Bonds4

About 2-fluoro-2-(furan-2-ylmethoxy)acetic acid

2-fluoro-2-(furan-2-ylmethoxy)acetic acid (PubChem CID 79357493) has the molecular formula C7H7FO4 and a molecular weight of 174.13 g/mol. Its IUPAC name is 2-fluoro-2-(furan-2-ylmethoxy)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(furan-2-ylmethoxy)acetic acid
PubChem CID79357493
Molecular FormulaC7H7FO4
Molecular Weight174.13 g/mol
Exact Mass174.03
IUPAC Name2-fluoro-2-(furan-2-ylmethoxy)acetic acid
SMILESO=C(O)C(F)OCc1ccco1
InChIInChI=1S/C7H7FO4/c8-6(7(9)10)12-4-5-2-1-3-11-5/h1-3,6H,4H2,(H,9,10)
InChIKeyUUTBIYCIUOAIOU-UHFFFAOYSA-N
XLogP1.18
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethoxy)ethanol
CID 20517704
2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol
CID 69288025
2-amino-3-(furan-2-ylmethoxy)propanoic acid
CID 65443764
2-ethoxy-3-(furan-2-ylmethoxy)propanoic acid
CID 63074632
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid
CID 13045444
ethyl 2-(furan-2-ylmethoxy)pentanoate
CID 83038819
3-(furan-2-ylmethoxy)propanoic acid
CID 24710839
2-(butan-2-yloxymethyl)furan
CID 118563774
2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid
CID 79356366
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
furan-2-ylmethoxy-hydroxy-oxophosphanium
CID 142804991

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(furan-2-ylmethoxy)acetic acid?
The IUPAC name of 2-fluoro-2-(furan-2-ylmethoxy)acetic acid (CID 79357493) is 2-fluoro-2-(furan-2-ylmethoxy)acetic acid.
What is the SMILES notation for 2-fluoro-2-(furan-2-ylmethoxy)acetic acid?
The canonical SMILES for 2-fluoro-2-(furan-2-ylmethoxy)acetic acid is O=C(O)C(F)OCc1ccco1.
What is the InChIKey of 2-fluoro-2-(furan-2-ylmethoxy)acetic acid?
The InChIKey is UUTBIYCIUOAIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4/c8-6(7(9)10)12-4-5-2-1-3-11-5/h1-3,6H,4H2,(H,9,10).
What are the key properties of 2-fluoro-2-(furan-2-ylmethoxy)acetic acid?
2-fluoro-2-(furan-2-ylmethoxy)acetic acid has a molecular weight of 174.13 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(furan-2-ylmethoxy)acetic acid is sourced from PubChem (CID 79357493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).