2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid

C11H10FNO4 — CID 107670033

IUPAC2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid
SMILESCOCC(Oc1ccc(C#N)cc1F)C(=O)O
InChIInChI=1S/C11H10FNO4/c1-16-6-10(11(14)15)17-9-3-2-7(5-13)4-8(9)12/h2-4,10H,6H2,1H3,(H,14,15)
InChIKeyKUGHGANDWSKVLB-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.18
Rot. Bonds5

About 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid

2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid (PubChem CID 107670033) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid
PubChem CID107670033
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid
SMILESCOCC(Oc1ccc(C#N)cc1F)C(=O)O
InChIInChI=1S/C11H10FNO4/c1-16-6-10(11(14)15)17-9-3-2-7(5-13)4-8(9)12/h2-4,10H,6H2,1H3,(H,14,15)
InChIKeyKUGHGANDWSKVLB-UHFFFAOYSA-N
XLogP1.18
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-(4-oxopentan-2-yloxy)benzonitrile
CID 107666517
2-(4-cyano-2-fluorophenoxy)-N-prop-2-ynylpropanamide
CID 113263499
2-(4-cyano-2-fluoroanilino)-4-methoxybutanoic acid
CID 62478283
3-fluoro-4-(5-oxohexoxy)benzonitrile
CID 104891719
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 103792142
2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 107670449
3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile
CID 102722144
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
3-fluoro-4-(2-methylbutoxy)benzonitrile
CID 103792131
2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
4-(4-cyano-2-fluorophenoxy)-N,N-dimethylbutanamide
CID 107670437

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid?
The IUPAC name of 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid (CID 107670033) is 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid?
The canonical SMILES for 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid is COCC(Oc1ccc(C#N)cc1F)C(=O)O.
What is the InChIKey of 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid?
The InChIKey is KUGHGANDWSKVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-16-6-10(11(14)15)17-9-3-2-7(5-13)4-8(9)12/h2-4,10H,6H2,1H3,(H,14,15).
What are the key properties of 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid?
2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid has a molecular weight of 239.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid is sourced from PubChem (CID 107670033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).