2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C12H6ClF4NOS — CID 106782479

IUPAC2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H6ClF4NOS/c13-8-4-7(14)2-1-6(8)3-9(19)10-5-18-11(20-10)12(15,16)17/h1-2,4-5H,3H2
InChIKeyFGUVYYCSKKZACZ-UHFFFAOYSA-N
MW323.70 g/mol
LogP4.38
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106782479) has the molecular formula C12H6ClF4NOS and a molecular weight of 323.70 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID106782479
Molecular FormulaC12H6ClF4NOS
Molecular Weight323.70 g/mol
Exact Mass322.98
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H6ClF4NOS/c13-8-4-7(14)2-1-6(8)3-9(19)10-5-18-11(20-10)12(15,16)17/h1-2,4-5H,3H2
InChIKeyFGUVYYCSKKZACZ-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106785011
[2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106786780
1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
CID 63036168
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
2-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106785008
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255
2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105088256
3-(dimethylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782611
1-(4-tert-butylphenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63410452
(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782419
3-(4-methylphenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784958
3-(3-aminophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784783

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 106782479) is 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is O=C(Cc1ccc(F)cc1Cl)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is FGUVYYCSKKZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4NOS/c13-8-4-7(14)2-1-6(8)3-9(19)10-5-18-11(20-10)12(15,16)17/h1-2,4-5H,3H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 323.70 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106782479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).