ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate

C7H6BrF2NO2S — CID 10708305

IUPACethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1nc(Br)cs1
InChIInChI=1S/C7H6BrF2NO2S/c1-2-13-6(12)7(9,10)5-11-4(8)3-14-5/h3H,2H2,1H3
InChIKeyNUXUGFXMBPDEIE-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.56
Rot. Bonds3

About ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate

ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate (PubChem CID 10708305) has the molecular formula C7H6BrF2NO2S and a molecular weight of 286.10 g/mol. Its IUPAC name is ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate
PubChem CID10708305
Molecular FormulaC7H6BrF2NO2S
Molecular Weight286.10 g/mol
Exact Mass284.93
IUPAC Nameethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1nc(Br)cs1
InChIInChI=1S/C7H6BrF2NO2S/c1-2-13-6(12)7(9,10)5-11-4(8)3-14-5/h3H,2H2,1H3
InChIKeyNUXUGFXMBPDEIE-UHFFFAOYSA-N
XLogP2.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-Bromothiazol-2-yl)acetate
CID 169746459
Methyl 2-(4-bromothiazol-2-yl)-2,2-difluoroacetate
CID 90134813
[2-(4-Bromo-1,3-thiazol-2-yl)-2,2-difluoroethyl] formate
CID 118459111
Methyl 2-(4-fluoro-1,3-thiazol-2-yl)acetate
CID 130787017
Tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)acetate
CID 158151462
Ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2-methylpropanoate
CID 175925895
Diethyl 2-(4-bromo-1,3-thiazol-2-yl)propanedioate
CID 175925898
2-(4-Bromothiazol-2-yl)acetic acid
CID 130139520
Methyl 2-(4-bromothiazol-2-yl)acetate
CID 130140244
Lithium 2-(4-bromothiazol-2-yl)acetate
CID 177925108

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate (CID 10708305) is ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1nc(Br)cs1.
What is the InChIKey of ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate?
The InChIKey is NUXUGFXMBPDEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2S/c1-2-13-6(12)7(9,10)5-11-4(8)3-14-5/h3H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate?
ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate has a molecular weight of 286.10 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoroacetate is sourced from PubChem (CID 10708305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).