3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid

C12H14FNO4 — CID 54239682

IUPAC3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid
SMILESCC(CON=C(CF)C(=O)O)Oc1ccccc1
InChIInChI=1S/C12H14FNO4/c1-9(18-10-5-3-2-4-6-10)8-17-14-11(7-13)12(15)16/h2-6,9H,7-8H2,1H3,(H,15,16)
InChIKeyQPCKDOZFTXGLIL-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.88
Rot. Bonds7

About 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid

3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid (PubChem CID 54239682) has the molecular formula C12H14FNO4 and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid
PubChem CID54239682
Molecular FormulaC12H14FNO4
Molecular Weight255.25 g/mol
Exact Mass255.09
IUPAC Name3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid
SMILESCC(CON=C(CF)C(=O)O)Oc1ccccc1
InChIInChI=1S/C12H14FNO4/c1-9(18-10-5-3-2-4-6-10)8-17-14-11(7-13)12(15)16/h2-6,9H,7-8H2,1H3,(H,15,16)
InChIKeyQPCKDOZFTXGLIL-UHFFFAOYSA-N
XLogP1.88
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenoxypropoxyimino)butanoic acid
CID 54384745
sodium;2-(2-phenoxypropoxyimino)propanoate;O-(2-phenoxypropyl)hydroxylamine
CID 74089093
2-[2-(3-chlorophenoxy)propoxyimino]propanoic acid
CID 54022537
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
3-fluoro-2-(2-phenoxypropoxyamino)prop-2-enoic acid
CID 57230498
2-phenoxypropyl dihydrogen phosphate
CID 21023142
bis(2-phenoxypropyl) hydrogen phosphate
CID 21023163
1-ethenoxypropan-2-yloxybenzene
CID 19808106
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
2-(2-phenoxypropyldiazenyl)propanoic acid
CID 57081409
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid?
The IUPAC name of 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid (CID 54239682) is 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid.
What is the SMILES notation for 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid?
The canonical SMILES for 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid is CC(CON=C(CF)C(=O)O)Oc1ccccc1.
What is the InChIKey of 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid?
The InChIKey is QPCKDOZFTXGLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-9(18-10-5-3-2-4-6-10)8-17-14-11(7-13)12(15)16/h2-6,9H,7-8H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid?
3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid has a molecular weight of 255.25 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid is sourced from PubChem (CID 54239682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).