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

C9H12F3NO2S — CID 103150221

IUPAC1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C9H12F3NO2S/c1-6(14)7-4-16-8(13-7)2-3-15-5-9(10,11)12/h4,6,14H,2-3,5H2,1H3
InChIKeyVXWMWRDFHBKPOW-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.32
Rot. Bonds5

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

1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 103150221) has the molecular formula C9H12F3NO2S and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
PubChem CID103150221
Molecular FormulaC9H12F3NO2S
Molecular Weight255.26 g/mol
Exact Mass255.05
IUPAC Name1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C9H12F3NO2S/c1-6(14)7-4-16-8(13-7)2-3-15-5-9(10,11)12/h4,6,14H,2-3,5H2,1H3
InChIKeyVXWMWRDFHBKPOW-UHFFFAOYSA-N
XLogP2.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol (CID 103150221) is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is VXWMWRDFHBKPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c1-6(14)7-4-16-8(13-7)2-3-15-5-9(10,11)12/h4,6,14H,2-3,5H2,1H3.
What are the key properties of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol?
1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 255.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 103150221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).