ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate

C9H10F3NO2S — CID 175566026

IUPACethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CC(F)C(F)F)n1
InChIInChI=1S/C9H10F3NO2S/c1-2-15-9(14)6-4-16-7(13-6)3-5(10)8(11)12/h4-5,8H,2-3H2,1H3
InChIKeyIWQKFCOLUJOLII-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.47
Rot. Bonds5

About ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate

ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate (PubChem CID 175566026) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate
PubChem CID175566026
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Nameethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CC(F)C(F)F)n1
InChIInChI=1S/C9H10F3NO2S/c1-2-15-9(14)6-4-16-7(13-6)3-5(10)8(11)12/h4-5,8H,2-3H2,1H3
InChIKeyIWQKFCOLUJOLII-UHFFFAOYSA-N
XLogP2.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 293353
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CID 353965
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CID 203631
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CID 59110523
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CID 20086718
CID 20086718
CID 801076
CID 801076
CID 11355896
CID 11355896
CID 15953680
CID 15953680
CID 45117622
CID 45117622
CID 142313585
CID 142313585
CID 10655181
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CID 11043146
CID 11043146

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate (CID 175566026) is ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CC(F)C(F)F)n1.
What is the InChIKey of ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is IWQKFCOLUJOLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-15-9(14)6-4-16-7(13-6)3-5(10)8(11)12/h4-5,8H,2-3H2,1H3.
What are the key properties of ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 253.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 175566026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).