ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate

C11H11BrClFO2 — CID 83197938

IUPACethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
SMILESCCOC(=O)C(Br)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11BrClFO2/c1-2-16-11(15)9(12)6-7-5-8(13)3-4-10(7)14/h3-5,9H,2,6H2,1H3
InChIKeyRLSCEWUWOXYPKB-UHFFFAOYSA-N
MW309.56 g/mol
LogP3.35
Rot. Bonds4

About ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate

ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate (PubChem CID 83197938) has the molecular formula C11H11BrClFO2 and a molecular weight of 309.56 g/mol. Its IUPAC name is ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
PubChem CID83197938
Molecular FormulaC11H11BrClFO2
Molecular Weight309.56 g/mol
Exact Mass307.96
IUPAC Nameethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
SMILESCCOC(=O)C(Br)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11BrClFO2/c1-2-16-11(15)9(12)6-7-5-8(13)3-4-10(7)14/h3-5,9H,2,6H2,1H3
InChIKeyRLSCEWUWOXYPKB-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.56
LogP ≤ 53.35
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

ethyl 2-bromo-3-(5-bromo-2-fluorophenyl)propanoate
CID 83197556
diethyl 2-[(5-chloro-2-fluorophenyl)methyl]propanedioate
CID 15707363
ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate
CID 2313752
2-bromo-1-(2,5-difluorophenyl)hexan-3-one
CID 62395008
ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate
CID 2313836
ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
CID 170884905
ethyl 2-[2-(5-chloro-2-fluorophenyl)ethylamino]acetate
CID 115257506
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
ethyl 2-bromo-3-(4-bromo-2-methylphenyl)propanoate
CID 83197105
ethyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 59009740
ethyl 2-[(5-chloro-2-fluorophenyl)diazenyl]propanoate
CID 90802803
ethyl 2-(5-chloro-2-fluorobenzoyl)pentanoate
CID 114887658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate?
The IUPAC name of ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate (CID 83197938) is ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate?
The canonical SMILES for ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate is CCOC(=O)C(Br)Cc1cc(Cl)ccc1F.
What is the InChIKey of ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate?
The InChIKey is RLSCEWUWOXYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO2/c1-2-16-11(15)9(12)6-7-5-8(13)3-4-10(7)14/h3-5,9H,2,6H2,1H3.
What are the key properties of ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate?
ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate has a molecular weight of 309.56 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate is sourced from PubChem (CID 83197938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).