2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

C6H5ClF3NOS — CID 79764610

IUPAC2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESFC(F)(F)COCc1cnc(Cl)s1
InChIInChI=1S/C6H5ClF3NOS/c7-5-11-1-4(13-5)2-12-3-6(8,9)10/h1H,2-3H2
InChIKeyQBNMTUKGOVEGIZ-UHFFFAOYSA-N
MW231.63 g/mol
LogP2.88
Rot. Bonds3

About 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (PubChem CID 79764610) has the molecular formula C6H5ClF3NOS and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
PubChem CID79764610
Molecular FormulaC6H5ClF3NOS
Molecular Weight231.63 g/mol
Exact Mass230.97
IUPAC Name2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESFC(F)(F)COCc1cnc(Cl)s1
InChIInChI=1S/C6H5ClF3NOS/c7-5-11-1-4(13-5)2-12-3-6(8,9)10/h1H,2-3H2
InChIKeyQBNMTUKGOVEGIZ-UHFFFAOYSA-N
XLogP2.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (CID 79764610) is 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is FC(F)(F)COCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The InChIKey is QBNMTUKGOVEGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3NOS/c7-5-11-1-4(13-5)2-12-3-6(8,9)10/h1H,2-3H2.
What are the key properties of 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole has a molecular weight of 231.63 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 79764610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).