(5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C9H5ClF3NO2S — CID 106786513

IUPAC(5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ccc(Cl)o1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H5ClF3NO2S/c10-6-2-1-4(16-6)7(15)5-3-14-8(17-5)9(11,12)13/h1-3,7,15H
InChIKeyZVVYGNXPDOWLLU-UHFFFAOYSA-N
MW283.66 g/mol
LogP3.49
Rot. Bonds2

About (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106786513) has the molecular formula C9H5ClF3NO2S and a molecular weight of 283.66 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106786513
Molecular FormulaC9H5ClF3NO2S
Molecular Weight283.66 g/mol
Exact Mass282.97
IUPAC Name(5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ccc(Cl)o1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H5ClF3NO2S/c10-6-2-1-4(16-6)7(15)5-3-14-8(17-5)9(11,12)13/h1-3,7,15H
InChIKeyZVVYGNXPDOWLLU-UHFFFAOYSA-N
XLogP3.49
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106786513) is (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1ccc(Cl)o1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is ZVVYGNXPDOWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3NO2S/c10-6-2-1-4(16-6)7(15)5-3-14-8(17-5)9(11,12)13/h1-3,7,15H.
What are the key properties of (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 283.66 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106786513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).