4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole

C6H5ClF3NOS — CID 83153347

IUPAC4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
SMILESCC(Oc1nc(Cl)cs1)C(F)(F)F
InChIInChI=1S/C6H5ClF3NOS/c1-3(6(8,9)10)12-5-11-4(7)2-13-5/h2-3H,1H3
InChIKeyBSZRCLHJHFXUKL-UHFFFAOYSA-N
MW231.63 g/mol
LogP3.13
Rot. Bonds2

About 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole

4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole (PubChem CID 83153347) has the molecular formula C6H5ClF3NOS and a molecular weight of 231.63 g/mol. Its IUPAC name is 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
PubChem CID83153347
Molecular FormulaC6H5ClF3NOS
Molecular Weight231.63 g/mol
Exact Mass230.97
IUPAC Name4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
SMILESCC(Oc1nc(Cl)cs1)C(F)(F)F
InChIInChI=1S/C6H5ClF3NOS/c1-3(6(8,9)10)12-5-11-4(7)2-13-5/h2-3H,1H3
InChIKeyBSZRCLHJHFXUKL-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole (CID 83153347) is 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole is CC(Oc1nc(Cl)cs1)C(F)(F)F.
What is the InChIKey of 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
The InChIKey is BSZRCLHJHFXUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3NOS/c1-3(6(8,9)10)12-5-11-4(7)2-13-5/h2-3H,1H3.
What are the key properties of 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole has a molecular weight of 231.63 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole is sourced from PubChem (CID 83153347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).