2-fluoro-2-phenoxyacetic acid

C8H7FO3 — CID 12602115

IUPAC2-fluoro-2-phenoxyacetic acid
SMILESO=C(O)C(F)Oc1ccccc1
InChIInChI=1S/C8H7FO3/c9-7(8(10)11)12-6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
InChIKeyHEXSLVTZXWZKHY-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.45
Rot. Bonds3

About 2-fluoro-2-phenoxyacetic acid

2-fluoro-2-phenoxyacetic acid (PubChem CID 12602115) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is 2-fluoro-2-phenoxyacetic acid.

Molecular Properties

Compound Name2-fluoro-2-phenoxyacetic acid
PubChem CID12602115
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Name2-fluoro-2-phenoxyacetic acid
SMILESO=C(O)C(F)Oc1ccccc1
InChIInChI=1S/C8H7FO3/c9-7(8(10)11)12-6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
InChIKeyHEXSLVTZXWZKHY-UHFFFAOYSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenoxyacetic acid?
The IUPAC name of 2-fluoro-2-phenoxyacetic acid (CID 12602115) is 2-fluoro-2-phenoxyacetic acid.
What is the SMILES notation for 2-fluoro-2-phenoxyacetic acid?
The canonical SMILES for 2-fluoro-2-phenoxyacetic acid is O=C(O)C(F)Oc1ccccc1.
What is the InChIKey of 2-fluoro-2-phenoxyacetic acid?
The InChIKey is HEXSLVTZXWZKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c9-7(8(10)11)12-6-4-2-1-3-5-6/h1-5,7H,(H,10,11).
What are the key properties of 2-fluoro-2-phenoxyacetic acid?
2-fluoro-2-phenoxyacetic acid has a molecular weight of 170.14 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenoxyacetic acid is sourced from PubChem (CID 12602115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).