(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid

C10H9FO4 — CID 107685172

IUPAC(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
SMILESC[C@@H](Oc1ccc(C=O)cc1F)C(=O)O
InChIInChI=1S/C10H9FO4/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-6H,1H3,(H,13,14)/t6-/m1/s1
InChIKeyBPZRJZKMPYWBCC-ZCFIWIBFSA-N
MW212.18 g/mol
LogP1.49
Rot. Bonds4

About (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid

(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid (PubChem CID 107685172) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
PubChem CID107685172
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
SMILESC[C@@H](Oc1ccc(C=O)cc1F)C(=O)O
InChIInChI=1S/C10H9FO4/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-6H,1H3,(H,13,14)/t6-/m1/s1
InChIKeyBPZRJZKMPYWBCC-ZCFIWIBFSA-N
XLogP1.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689480
N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689513
2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
CID 103850004
2-(4-formyl-2-prop-2-enylphenoxy)propanoic acid
CID 4763763
(E)-4-(2-fluoro-4-formylphenoxy)but-2-enoic acid
CID 107685164
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde
CID 29272244
2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide
CID 107693702
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid
CID 175190331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid?
The IUPAC name of (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid (CID 107685172) is (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid?
The canonical SMILES for (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid is C[C@@H](Oc1ccc(C=O)cc1F)C(=O)O.
What is the InChIKey of (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid?
The InChIKey is BPZRJZKMPYWBCC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9FO4/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-6H,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid?
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid has a molecular weight of 212.18 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid is sourced from PubChem (CID 107685172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).