3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride

C11H5ClF3NOS — CID 23465058

IUPAC3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride
SMILESO=C(Cl)c1csnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H5ClF3NOS/c12-10(17)8-5-18-16-9(8)6-2-1-3-7(4-6)11(13,14)15/h1-5H
InChIKeyVTAINAJKLLTKFO-UHFFFAOYSA-N
MW291.68 g/mol
LogP4.21
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride

3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride (PubChem CID 23465058) has the molecular formula C11H5ClF3NOS and a molecular weight of 291.68 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride
PubChem CID23465058
Molecular FormulaC11H5ClF3NOS
Molecular Weight291.68 g/mol
Exact Mass290.97
IUPAC Name3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride
SMILESO=C(Cl)c1csnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H5ClF3NOS/c12-10(17)8-5-18-16-9(8)6-2-1-3-7(4-6)11(13,14)15/h1-5H
InChIKeyVTAINAJKLLTKFO-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

CID 23465073
CID 23465073
CID 122477201
CID 122477201
CID 134444726
CID 134444726
CID 163771341
CID 163771341
CID 175198567
CID 175198567
CID 175202314
CID 175202314
CID 175869898
CID 175869898
CID 23465064
CID 23465064
CID 12918170
CID 12918170
CID 54348749
CID 54348749
CID 88751475
CID 88751475
CID 122476771
CID 122476771

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride (CID 23465058) is 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride is O=C(Cl)c1csnc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride?
The InChIKey is VTAINAJKLLTKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NOS/c12-10(17)8-5-18-16-9(8)6-2-1-3-7(4-6)11(13,14)15/h1-5H.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride?
3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride has a molecular weight of 291.68 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonyl chloride is sourced from PubChem (CID 23465058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).