2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid

C6H2F5NO2S — CID 106784032

IUPAC2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)C(F)(F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H2F5NO2S/c7-5(8,4(13)14)2-1-12-3(15-2)6(9,10)11/h1H,(H,13,14)
InChIKeyLEBSBWYGHZTJLH-UHFFFAOYSA-N
MW247.14 g/mol
LogP2.34
Rot. Bonds2

About 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid

2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 106784032) has the molecular formula C6H2F5NO2S and a molecular weight of 247.14 g/mol. Its IUPAC name is 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID106784032
Molecular FormulaC6H2F5NO2S
Molecular Weight247.14 g/mol
Exact Mass246.97
IUPAC Name2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)C(F)(F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H2F5NO2S/c7-5(8,4(13)14)2-1-12-3(15-2)6(9,10)11/h1H,(H,13,14)
InChIKeyLEBSBWYGHZTJLH-UHFFFAOYSA-N
XLogP2.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methyl-1,3-thiazol-5-yl)acetic acid
CID 6852046
5-Thiazoleacetic acid
CID 349439
2-(1,3-Thiazol-5-yl)propanoic acid
CID 57471701
2-Methyl-2-(1,3-thiazol-5-yl)propanoic acid
CID 165490479
2-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
CID 154879069
Ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
CID 170912876
2,2-Difluoro-2-(thiazol-5-yl)acetic acid
CID 132353917
Ethyl 2,2-difluoro-2-(1,3-thiazol-5-yl)acetate
CID 140207168
2,2-Difluoro-2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid
CID 165918350
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid
CID 169171841
2-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid
CID 174738797
Methyl [2-(trifluoromethyl)-1,3-thiazol-5-YL]acetate
CID 72214631

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid (CID 106784032) is 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)C(F)(F)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is LEBSBWYGHZTJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5NO2S/c7-5(8,4(13)14)2-1-12-3(15-2)6(9,10)11/h1H,(H,13,14).
What are the key properties of 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid?
2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 247.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 106784032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).