(2S)-2-(2-fluorophenoxy)pentanoic acid

C11H13FO3 — CID 40801009

IUPAC(2S)-2-(2-fluorophenoxy)pentanoic acid
SMILESCCC[C@H](Oc1ccccc1F)C(=O)O
InChIInChI=1S/C11H13FO3/c1-2-5-10(11(13)14)15-9-7-4-3-6-8(9)12/h3-4,6-7,10H,2,5H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyKULAXTWCZKMQBG-JTQLQIEISA-N
MW212.22 g/mol
LogP2.46
Rot. Bonds5

About (2S)-2-(2-fluorophenoxy)pentanoic acid

(2S)-2-(2-fluorophenoxy)pentanoic acid (PubChem CID 40801009) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)pentanoic acid
PubChem CID40801009
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name(2S)-2-(2-fluorophenoxy)pentanoic acid
SMILESCCC[C@H](Oc1ccccc1F)C(=O)O
InChIInChI=1S/C11H13FO3/c1-2-5-10(11(13)14)15-9-7-4-3-6-8(9)12/h3-4,6-7,10H,2,5H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyKULAXTWCZKMQBG-JTQLQIEISA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2-fluorophenoxy)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
CID 83041368
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253
3-(2-fluorophenoxy)nonanoic acid
CID 141243279
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83041479
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029
ethyl 2-(2-fluorophenoxy)-2-phenylacetate
CID 117059060
2-(9H-carbazol-4-yloxy)pentanoic acid
CID 59571754
2-[2-(aminomethyl)-3-chlorophenoxy]pentanoic acid
CID 83036006
3-(2-fluorophenoxy)pentan-1-amine
CID 43368122
1-(2-fluorophenyl)-2-methoxypentan-1-one
CID 116708127

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)pentanoic acid?
The IUPAC name of (2S)-2-(2-fluorophenoxy)pentanoic acid (CID 40801009) is (2S)-2-(2-fluorophenoxy)pentanoic acid.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)pentanoic acid?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)pentanoic acid is CCC[C@H](Oc1ccccc1F)C(=O)O.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)pentanoic acid?
The InChIKey is KULAXTWCZKMQBG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13FO3/c1-2-5-10(11(13)14)15-9-7-4-3-6-8(9)12/h3-4,6-7,10H,2,5H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)pentanoic acid?
(2S)-2-(2-fluorophenoxy)pentanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)pentanoic acid is sourced from PubChem (CID 40801009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).