[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate

C6H4F3NO2S — CID 141345378

IUPAC[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate
SMILESO=COC(c1nccs1)C(F)(F)F
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)4(12-3-11)5-10-1-2-13-5/h1-4H
InChIKeyVMEDHHINXCQCHY-UHFFFAOYSA-N
MW211.16 g/mol
LogP1.92
Rot. Bonds3

About [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate

[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate (PubChem CID 141345378) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate
PubChem CID141345378
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Name[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate
SMILESO=COC(c1nccs1)C(F)(F)F
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)4(12-3-11)5-10-1-2-13-5/h1-4H
InChIKeyVMEDHHINXCQCHY-UHFFFAOYSA-N
XLogP1.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate?
The IUPAC name of [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate (CID 141345378) is [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate.
What is the SMILES notation for [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate?
The canonical SMILES for [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate is O=COC(c1nccs1)C(F)(F)F.
What is the InChIKey of [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate?
The InChIKey is VMEDHHINXCQCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c7-6(8,9)4(12-3-11)5-10-1-2-13-5/h1-4H.
What are the key properties of [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate?
[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate has a molecular weight of 211.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate is sourced from PubChem (CID 141345378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).