3-(3-fluorophenoxy)propanoic acid

C9H9FO3 — CID 15086015

IUPAC3-(3-fluorophenoxy)propanoic acid
SMILESO=C(O)CCOc1cccc(F)c1
InChIInChI=1S/C9H9FO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChIKeyTWGIQPNNPXKPLC-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.68
Rot. Bonds4

About 3-(3-fluorophenoxy)propanoic acid

3-(3-fluorophenoxy)propanoic acid (PubChem CID 15086015) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenoxy)propanoic acid
PubChem CID15086015
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name3-(3-fluorophenoxy)propanoic acid
SMILESO=C(O)CCOc1cccc(F)c1
InChIInChI=1S/C9H9FO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChIKeyTWGIQPNNPXKPLC-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)propanoic acid?
The IUPAC name of 3-(3-fluorophenoxy)propanoic acid (CID 15086015) is 3-(3-fluorophenoxy)propanoic acid.
What is the SMILES notation for 3-(3-fluorophenoxy)propanoic acid?
The canonical SMILES for 3-(3-fluorophenoxy)propanoic acid is O=C(O)CCOc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenoxy)propanoic acid?
The InChIKey is TWGIQPNNPXKPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12).
What are the key properties of 3-(3-fluorophenoxy)propanoic acid?
3-(3-fluorophenoxy)propanoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)propanoic acid is sourced from PubChem (CID 15086015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).