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

C9H11F4NO2S — CID 103476129

IUPAC1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H11F4NO2S/c1-5(15)6-3-17-7(14-6)2-16-4-9(12,13)8(10)11/h3,5,8,15H,2,4H2,1H3
InChIKeyKKUPSSDUBIYYIL-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.61
Rot. Bonds6

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

1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 103476129) has the molecular formula C9H11F4NO2S and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol
PubChem CID103476129
Molecular FormulaC9H11F4NO2S
Molecular Weight273.25 g/mol
Exact Mass273.04
IUPAC Name1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H11F4NO2S/c1-5(15)6-3-17-7(14-6)2-16-4-9(12,13)8(10)11/h3,5,8,15H,2,4H2,1H3
InChIKeyKKUPSSDUBIYYIL-UHFFFAOYSA-N
XLogP2.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol (CID 103476129) is 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is KKUPSSDUBIYYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2S/c1-5(15)6-3-17-7(14-6)2-16-4-9(12,13)8(10)11/h3,5,8,15H,2,4H2,1H3.
What are the key properties of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 273.25 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 103476129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).