methyl 2-cyano-3-(2-fluorophenyl)propanoate

C11H10FNO2 — CID 70700074

IUPACmethyl 2-cyano-3-(2-fluorophenyl)propanoate
SMILESCOC(=O)C(C#N)Cc1ccccc1F
InChIInChI=1S/C11H10FNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-5,9H,6H2,1H3
InChIKeySRPVOGCOJSGGBW-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.68
Rot. Bonds3

About methyl 2-cyano-3-(2-fluorophenyl)propanoate

methyl 2-cyano-3-(2-fluorophenyl)propanoate (PubChem CID 70700074) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is methyl 2-cyano-3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-cyano-3-(2-fluorophenyl)propanoate
PubChem CID70700074
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Namemethyl 2-cyano-3-(2-fluorophenyl)propanoate
SMILESCOC(=O)C(C#N)Cc1ccccc1F
InChIInChI=1S/C11H10FNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-5,9H,6H2,1H3
InChIKeySRPVOGCOJSGGBW-UHFFFAOYSA-N
XLogP1.68
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate
CID 144861536
ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]propanoate
CID 82350243
methyl (2S)-2-[[1-deuterioethyl(ethyl)phosphoryl]amino]-3-(2-fluorophenyl)propanoate
CID 57239408
tert-butyl 2-cyano-3-(2-methylphenyl)propanoate
CID 102082957
methyl 4-[(2-fluorophenyl)methyl]hexanoate
CID 174497921
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile
CID 82503559
methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 3831321
2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile
CID 82075721

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-3-(2-fluorophenyl)propanoate?
The IUPAC name of methyl 2-cyano-3-(2-fluorophenyl)propanoate (CID 70700074) is methyl 2-cyano-3-(2-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-cyano-3-(2-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-cyano-3-(2-fluorophenyl)propanoate is COC(=O)C(C#N)Cc1ccccc1F.
What is the InChIKey of methyl 2-cyano-3-(2-fluorophenyl)propanoate?
The InChIKey is SRPVOGCOJSGGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-5,9H,6H2,1H3.
What are the key properties of methyl 2-cyano-3-(2-fluorophenyl)propanoate?
methyl 2-cyano-3-(2-fluorophenyl)propanoate has a molecular weight of 207.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 70700074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).