ethyl formate;4-(trifluoromethyl)-1,3-thiazole

C7H8F3NO2S — CID 174546262

IUPACethyl formate;4-(trifluoromethyl)-1,3-thiazole
SMILESCCOC=O.FC(F)(F)c1cscn1
InChIInChI=1S/C4H2F3NS.C3H6O2/c5-4(6,7)3-1-9-2-8-3;1-2-5-3-4/h1-2H;3H,2H2,1H3
InChIKeyQQZUJCDLVNMWSP-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.34
Rot. Bonds2

About ethyl formate;4-(trifluoromethyl)-1,3-thiazole

ethyl formate;4-(trifluoromethyl)-1,3-thiazole (PubChem CID 174546262) has the molecular formula C7H8F3NO2S and a molecular weight of 227.21 g/mol. Its IUPAC name is ethyl formate;4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Nameethyl formate;4-(trifluoromethyl)-1,3-thiazole
PubChem CID174546262
Molecular FormulaC7H8F3NO2S
Molecular Weight227.21 g/mol
Exact Mass227.02
IUPAC Nameethyl formate;4-(trifluoromethyl)-1,3-thiazole
SMILESCCOC=O.FC(F)(F)c1cscn1
InChIInChI=1S/C4H2F3NS.C3H6O2/c5-4(6,7)3-1-9-2-8-3;1-2-5-3-4/h1-2H;3H,2H2,1H3
InChIKeyQQZUJCDLVNMWSP-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.34
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 ethyl formate;4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of ethyl formate;4-(trifluoromethyl)-1,3-thiazole (CID 174546262) is ethyl formate;4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for ethyl formate;4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for ethyl formate;4-(trifluoromethyl)-1,3-thiazole is CCOC=O.FC(F)(F)c1cscn1.
What is the InChIKey of ethyl formate;4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is QQZUJCDLVNMWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NS.C3H6O2/c5-4(6,7)3-1-9-2-8-3;1-2-5-3-4/h1-2H;3H,2H2,1H3.
What are the key properties of ethyl formate;4-(trifluoromethyl)-1,3-thiazole?
ethyl formate;4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 227.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 174546262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).