(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C11H5ClF3NOS — CID 106782419

IUPAC(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cccc(Cl)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H5ClF3NOS/c12-7-3-1-2-6(4-7)9(17)8-5-16-10(18-8)11(13,14)15/h1-5H
InChIKeyDBVXWJPHQYSQAY-UHFFFAOYSA-N
MW291.68 g/mol
LogP4.05
Rot. Bonds2

About (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782419) has the molecular formula C11H5ClF3NOS and a molecular weight of 291.68 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782419
Molecular FormulaC11H5ClF3NOS
Molecular Weight291.68 g/mol
Exact Mass290.97
IUPAC Name(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cccc(Cl)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H5ClF3NOS/c12-7-3-1-2-6(4-7)9(17)8-5-16-10(18-8)11(13,14)15/h1-5H
InChIKeyDBVXWJPHQYSQAY-UHFFFAOYSA-N
XLogP4.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782419) is (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cccc(Cl)c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is DBVXWJPHQYSQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NOS/c12-7-3-1-2-6(4-7)9(17)8-5-16-10(18-8)11(13,14)15/h1-5H.
What are the key properties of (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 291.68 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).