(2S)-2-(2,4-difluorophenoxy)propanoic acid

C9H8F2O3 — CID 7268787

IUPAC(2S)-2-(2,4-difluorophenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C9H8F2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyWAKAFGLBHPKARJ-YFKPBYRVSA-N
MW202.16 g/mol
LogP1.82
Rot. Bonds3

About (2S)-2-(2,4-difluorophenoxy)propanoic acid

(2S)-2-(2,4-difluorophenoxy)propanoic acid (PubChem CID 7268787) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is (2S)-2-(2,4-difluorophenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,4-difluorophenoxy)propanoic acid
PubChem CID7268787
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name(2S)-2-(2,4-difluorophenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C9H8F2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyWAKAFGLBHPKARJ-YFKPBYRVSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17193924
(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide
CID 42561688
1-[[(2R)-2-(2,4-difluorophenoxy)propanoyl]amino]-3-ethylthiourea
CID 40633643
(2R)-2-(2,4-difluorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 39891493
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-difluorophenoxy)propanoic acid?
The IUPAC name of (2S)-2-(2,4-difluorophenoxy)propanoic acid (CID 7268787) is (2S)-2-(2,4-difluorophenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(2,4-difluorophenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(2,4-difluorophenoxy)propanoic acid is C[C@H](Oc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (2S)-2-(2,4-difluorophenoxy)propanoic acid?
The InChIKey is WAKAFGLBHPKARJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(2,4-difluorophenoxy)propanoic acid?
(2S)-2-(2,4-difluorophenoxy)propanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-difluorophenoxy)propanoic acid is sourced from PubChem (CID 7268787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).