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

C10H8FNO3 — CID 22610140

IUPAC2-(4-cyano-3-fluorophenoxy)propanoic acid
SMILESCC(Oc1ccc(C#N)c(F)c1)C(=O)O
InChIInChI=1S/C10H8FNO3/c1-6(10(13)14)15-8-3-2-7(5-12)9(11)4-8/h2-4,6H,1H3,(H,13,14)
InChIKeyXYNPAKUFKXSRFH-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.55
Rot. Bonds3

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

2-(4-cyano-3-fluorophenoxy)propanoic acid (PubChem CID 22610140) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(4-cyano-3-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-cyano-3-fluorophenoxy)propanoic acid
PubChem CID22610140
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-(4-cyano-3-fluorophenoxy)propanoic acid
SMILESCC(Oc1ccc(C#N)c(F)c1)C(=O)O
InChIInChI=1S/C10H8FNO3/c1-6(10(13)14)15-8-3-2-7(5-12)9(11)4-8/h2-4,6H,1H3,(H,13,14)
InChIKeyXYNPAKUFKXSRFH-UHFFFAOYSA-N
XLogP1.55
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
CID 79822692
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
CID 103338112
2-(4-fluorophenoxy)propanoic acid
CID 3872140
(2S)-2-(5-bromo-2-cyanophenoxy)propanoic acid
CID 131211264
3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid
CID 157355506
2-[2-[(4-cyano-3-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460804
2-amino-2-(4-cyano-3-fluorophenyl)acetic acid
CID 55297389
2-fluoro-4-(3-hydroxypropoxy)benzonitrile
CID 78961235
2-chloro-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 102724664
[4-(4-cyano-3-fluorophenoxy)phenyl]methyl-(3-methylbutyl)carbamic acid
CID 143075888
CID 66974147
CID 66974147

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-fluorophenoxy)propanoic acid?
The IUPAC name of 2-(4-cyano-3-fluorophenoxy)propanoic acid (CID 22610140) is 2-(4-cyano-3-fluorophenoxy)propanoic acid.
What is the SMILES notation for 2-(4-cyano-3-fluorophenoxy)propanoic acid?
The canonical SMILES for 2-(4-cyano-3-fluorophenoxy)propanoic acid is CC(Oc1ccc(C#N)c(F)c1)C(=O)O.
What is the InChIKey of 2-(4-cyano-3-fluorophenoxy)propanoic acid?
The InChIKey is XYNPAKUFKXSRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c1-6(10(13)14)15-8-3-2-7(5-12)9(11)4-8/h2-4,6H,1H3,(H,13,14).
What are the key properties of 2-(4-cyano-3-fluorophenoxy)propanoic acid?
2-(4-cyano-3-fluorophenoxy)propanoic acid has a molecular weight of 209.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-fluorophenoxy)propanoic acid is sourced from PubChem (CID 22610140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).