2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid

C9H9F4NO3S — CID 103473361

IUPAC2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H9F4NO3S/c10-8(11)9(12,13)4-17-2-6-14-5(3-18-6)1-7(15)16/h3,8H,1-2,4H2,(H,15,16)
InChIKeyBLFMQIABYVYGGC-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.19
Rot. Bonds7

About 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 103473361) has the molecular formula C9H9F4NO3S and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID103473361
Molecular FormulaC9H9F4NO3S
Molecular Weight287.23 g/mol
Exact Mass287.02
IUPAC Name2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H9F4NO3S/c10-8(11)9(12,13)4-17-2-6-14-5(3-18-6)1-7(15)16/h3,8H,1-2,4H2,(H,15,16)
InChIKeyBLFMQIABYVYGGC-UHFFFAOYSA-N
XLogP2.19
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanethiol
CID 112753801
4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 103477033
2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine
CID 103477015
ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate
CID 103473342
4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 103477119
N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 55077413
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978
1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one
CID 103473723
2-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]acetic acid
CID 84779358
2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394
2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
CID 4980659
1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
CID 103476126

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid (CID 103473361) is 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BLFMQIABYVYGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO3S/c10-8(11)9(12,13)4-17-2-6-14-5(3-18-6)1-7(15)16/h3,8H,1-2,4H2,(H,15,16).
What are the key properties of 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 287.23 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 103473361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).