methyl 2-chloro-3-(2,3-difluorophenyl)propanoate

C10H9ClF2O2 — CID 83195193

IUPACmethyl 2-chloro-3-(2,3-difluorophenyl)propanoate
SMILESCOC(=O)C(Cl)Cc1cccc(F)c1F
InChIInChI=1S/C10H9ClF2O2/c1-15-10(14)7(11)5-6-3-2-4-8(12)9(6)13/h2-4,7H,5H2,1H3
InChIKeyHYNATZKXZSIJLM-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.29
Rot. Bonds3

About methyl 2-chloro-3-(2,3-difluorophenyl)propanoate

methyl 2-chloro-3-(2,3-difluorophenyl)propanoate (PubChem CID 83195193) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is methyl 2-chloro-3-(2,3-difluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-(2,3-difluorophenyl)propanoate
PubChem CID83195193
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Namemethyl 2-chloro-3-(2,3-difluorophenyl)propanoate
SMILESCOC(=O)C(Cl)Cc1cccc(F)c1F
InChIInChI=1S/C10H9ClF2O2/c1-15-10(14)7(11)5-6-3-2-4-8(12)9(6)13/h2-4,7H,5H2,1H3
InChIKeyHYNATZKXZSIJLM-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(aminomethyl)-3-(2,3-difluorophenyl)propanoate
CID 63669742
methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate
CID 69404832
methyl 2-chloro-3-[(2-fluorophenyl)methylamino]propanoate
CID 103491904
3-(2,3-difluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79493337
methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
CID 171238083
methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate
CID 112653100
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
methyl (2S)-2-chloro-3-(4-fluorophenyl)propanoate
CID 54763159
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338
azane;methyl (2R)-2-chloro-3-phenylpropanoate
CID 135340026
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(2,3-difluorophenyl)propanoate?
The IUPAC name of methyl 2-chloro-3-(2,3-difluorophenyl)propanoate (CID 83195193) is methyl 2-chloro-3-(2,3-difluorophenyl)propanoate.
What is the SMILES notation for methyl 2-chloro-3-(2,3-difluorophenyl)propanoate?
The canonical SMILES for methyl 2-chloro-3-(2,3-difluorophenyl)propanoate is COC(=O)C(Cl)Cc1cccc(F)c1F.
What is the InChIKey of methyl 2-chloro-3-(2,3-difluorophenyl)propanoate?
The InChIKey is HYNATZKXZSIJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c1-15-10(14)7(11)5-6-3-2-4-8(12)9(6)13/h2-4,7H,5H2,1H3.
What are the key properties of methyl 2-chloro-3-(2,3-difluorophenyl)propanoate?
methyl 2-chloro-3-(2,3-difluorophenyl)propanoate has a molecular weight of 234.63 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(2,3-difluorophenyl)propanoate is sourced from PubChem (CID 83195193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).