(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid

C11H10FNO3 — CID 93219334

IUPAC(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1cccc(F)c1C#N
InChIInChI=1S/C11H10FNO3/c1-7(5-11(14)15)16-10-4-2-3-9(12)8(10)6-13/h2-4,7H,5H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyPLIWYWKAQYPWMX-SSDOTTSWSA-N
MW223.20 g/mol
LogP1.94
Rot. Bonds4

About (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid

(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid (PubChem CID 93219334) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
PubChem CID93219334
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1cccc(F)c1C#N
InChIInChI=1S/C11H10FNO3/c1-7(5-11(14)15)16-10-4-2-3-9(12)8(10)6-13/h2-4,7H,5H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyPLIWYWKAQYPWMX-SSDOTTSWSA-N
XLogP1.94
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(4-methylpentan-2-yloxy)benzonitrile
CID 79512851
(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62032368
3-(2-cyano-3-fluorophenyl)sulfanylbutanoic acid
CID 79519684
3-(2,3-dihydroxyphenoxy)butanoic acid
CID 42605052
2-(difluoromethoxy)-6-fluorobenzonitrile
CID 23448361
2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62032180
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
(2-cyano-3-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117096379

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid?
The IUPAC name of (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid (CID 93219334) is (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid?
The canonical SMILES for (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid is C[C@H](CC(=O)O)Oc1cccc(F)c1C#N.
What is the InChIKey of (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid?
The InChIKey is PLIWYWKAQYPWMX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-7(5-11(14)15)16-10-4-2-3-9(12)8(10)6-13/h2-4,7H,5H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid?
(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid has a molecular weight of 223.20 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid is sourced from PubChem (CID 93219334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).