ethyl 2-(4-bromophenyl)-2,2-difluoroacetate

C10H9BrF2O2 — CID 46220010

IUPACethyl 2-(4-bromophenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrF2O2/c1-2-15-9(14)10(12,13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChIKeyPUGCVZGUQPOVQF-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.10
Rot. Bonds3

About ethyl 2-(4-bromophenyl)-2,2-difluoroacetate

ethyl 2-(4-bromophenyl)-2,2-difluoroacetate (PubChem CID 46220010) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)-2,2-difluoroacetate
PubChem CID46220010
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Nameethyl 2-(4-bromophenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrF2O2/c1-2-15-9(14)10(12,13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChIKeyPUGCVZGUQPOVQF-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-bromophenyl)-2,2-difluoroacetate (CID 46220010) is ethyl 2-(4-bromophenyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-bromophenyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-(4-bromophenyl)-2,2-difluoroacetate?
The InChIKey is PUGCVZGUQPOVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c1-2-15-9(14)10(12,13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromophenyl)-2,2-difluoroacetate?
ethyl 2-(4-bromophenyl)-2,2-difluoroacetate has a molecular weight of 279.08 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)-2,2-difluoroacetate is sourced from PubChem (CID 46220010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).