ethyl 2-(4-bromo-3-fluorophenyl)acetate

C10H10BrFO2 — CID 71757032

IUPACethyl 2-(4-bromo-3-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFO2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3
InChIKeyYZJBHWNZBXGCQK-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.69
Rot. Bonds3

About ethyl 2-(4-bromo-3-fluorophenyl)acetate

ethyl 2-(4-bromo-3-fluorophenyl)acetate (PubChem CID 71757032) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is ethyl 2-(4-bromo-3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-3-fluorophenyl)acetate
PubChem CID71757032
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Nameethyl 2-(4-bromo-3-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFO2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3
InChIKeyYZJBHWNZBXGCQK-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(4-bromo-3-fluorophenyl)acetate (CID 71757032) is ethyl 2-(4-bromo-3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-bromo-3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(4-bromo-3-fluorophenyl)acetate is CCOC(=O)Cc1ccc(Br)c(F)c1.
What is the InChIKey of ethyl 2-(4-bromo-3-fluorophenyl)acetate?
The InChIKey is YZJBHWNZBXGCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(4-bromo-3-fluorophenyl)acetate?
ethyl 2-(4-bromo-3-fluorophenyl)acetate has a molecular weight of 261.09 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-3-fluorophenyl)acetate is sourced from PubChem (CID 71757032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).