2-[2-(2-fluoroethyl)phenyl]propanoic acid

C11H13FO2 — CID 84666825

IUPAC2-[2-(2-fluoroethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1CCF
InChIInChI=1S/C11H13FO2/c1-8(11(13)14)10-5-3-2-4-9(10)6-7-12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyTWACTLNOMZCBIA-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.39
Rot. Bonds4

About 2-[2-(2-fluoroethyl)phenyl]propanoic acid

2-[2-(2-fluoroethyl)phenyl]propanoic acid (PubChem CID 84666825) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-[2-(2-fluoroethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-fluoroethyl)phenyl]propanoic acid
PubChem CID84666825
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-[2-(2-fluoroethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1CCF
InChIInChI=1S/C11H13FO2/c1-8(11(13)14)10-5-3-2-4-9(10)6-7-12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyTWACTLNOMZCBIA-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethyl)phenyl]propanoic acid?
The IUPAC name of 2-[2-(2-fluoroethyl)phenyl]propanoic acid (CID 84666825) is 2-[2-(2-fluoroethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(2-fluoroethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(2-fluoroethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccccc1CCF.
What is the InChIKey of 2-[2-(2-fluoroethyl)phenyl]propanoic acid?
The InChIKey is TWACTLNOMZCBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8(11(13)14)10-5-3-2-4-9(10)6-7-12/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[2-(2-fluoroethyl)phenyl]propanoic acid?
2-[2-(2-fluoroethyl)phenyl]propanoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethyl)phenyl]propanoic acid is sourced from PubChem (CID 84666825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).