methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate

C11H10FNO3 — CID 103337913

IUPACmethyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cccc(F)c1C#N
InChIInChI=1S/C11H10FNO3/c1-7(11(14)15-2)16-10-5-3-4-9(12)8(10)6-13/h3-5,7H,1-2H3/t7-/m0/s1
InChIKeyPUWYBAHDQJEEHB-ZETCQYMHSA-N
MW223.20 g/mol
LogP1.64
Rot. Bonds3

About methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate

methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate (PubChem CID 103337913) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
PubChem CID103337913
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Namemethyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cccc(F)c1C#N
InChIInChI=1S/C11H10FNO3/c1-7(11(14)15-2)16-10-5-3-4-9(12)8(10)6-13/h3-5,7H,1-2H3/t7-/m0/s1
InChIKeyPUWYBAHDQJEEHB-ZETCQYMHSA-N
XLogP1.64
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62032368
methyl 2-(3-chloro-2-cyanophenoxy)propanoate
CID 114322384
(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
CID 93219334
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-fluoro-6-(4-methylpentan-2-yloxy)benzonitrile
CID 79512851
2-(difluoromethoxy)-6-fluorobenzonitrile
CID 23448361
methyl 2-cyano-2-(2-cyano-3-fluorophenyl)acetate
CID 146625013
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
(2-cyano-3-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117096379
methyl 2-(2-amino-6-fluorophenoxy)propanoate
CID 104831172
methyl 2-(2-cyano-3-fluoroanilino)butanoate
CID 115352415

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate?
The IUPAC name of methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate (CID 103337913) is methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate.
What is the SMILES notation for methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate?
The canonical SMILES for methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate is COC(=O)[C@H](C)Oc1cccc(F)c1C#N.
What is the InChIKey of methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate?
The InChIKey is PUWYBAHDQJEEHB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-7(11(14)15-2)16-10-5-3-4-9(12)8(10)6-13/h3-5,7H,1-2H3/t7-/m0/s1.
What are the key properties of methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate?
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate has a molecular weight of 223.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate is sourced from PubChem (CID 103337913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).