ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate

C8H7BrF2O2S — CID 166132555

IUPACethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cc(Br)cs1
InChIInChI=1S/C8H7BrF2O2S/c1-2-13-7(12)8(10,11)6-3-5(9)4-14-6/h3-4H,2H2,1H3
InChIKeyVFICZEGJFSUBGH-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.17
Rot. Bonds3

About ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate

ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate (PubChem CID 166132555) has the molecular formula C8H7BrF2O2S and a molecular weight of 285.11 g/mol. Its IUPAC name is ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate
PubChem CID166132555
Molecular FormulaC8H7BrF2O2S
Molecular Weight285.11 g/mol
Exact Mass283.93
IUPAC Nameethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cc(Br)cs1
InChIInChI=1S/C8H7BrF2O2S/c1-2-13-7(12)8(10,11)6-3-5(9)4-14-6/h3-4H,2H2,1H3
InChIKeyVFICZEGJFSUBGH-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate (CID 166132555) is ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1cc(Br)cs1.
What is the InChIKey of ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate?
The InChIKey is VFICZEGJFSUBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O2S/c1-2-13-7(12)8(10,11)6-3-5(9)4-14-6/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate?
ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate has a molecular weight of 285.11 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate is sourced from PubChem (CID 166132555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).