5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole

C8H7ClF3NS — CID 106784466

IUPAC5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(/C=C/CCCl)s1
InChIInChI=1S/C8H7ClF3NS/c9-4-2-1-3-6-5-13-7(14-6)8(10,11)12/h1,3,5H,2,4H2/b3-1+
InChIKeyZPWIVBGVEHXMJZ-HNQUOIGGSA-N
MW241.66 g/mol
LogP3.80
Rot. Bonds3

About 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole

5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784466) has the molecular formula C8H7ClF3NS and a molecular weight of 241.66 g/mol. Its IUPAC name is 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784466
Molecular FormulaC8H7ClF3NS
Molecular Weight241.66 g/mol
Exact Mass240.99
IUPAC Name5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(/C=C/CCCl)s1
InChIInChI=1S/C8H7ClF3NS/c9-4-2-1-3-6-5-13-7(14-6)8(10,11)12/h1,3,5H,2,4H2/b3-1+
InChIKeyZPWIVBGVEHXMJZ-HNQUOIGGSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Ethenyl-2-(trifluoromethyl)-1,3-thiazole
CID 89121630
5-[(E)-7,7,7-trifluorohept-1-enyl]-1,3-thiazole
CID 117719634
5-[(1E,3E)-2,3-difluoropenta-1,3-dienyl]-2-methyl-1,3-thiazole
CID 145018659
5-(7,7,7-Trifluorohept-1-enyl)-1,3-thiazole
CID 173558766
2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
CID 57305421
5-(3-Chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784248
5-[(E)-4-bromobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784467
5-(5-Chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784468
(E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784471
(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784472
(E)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784473
(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784474

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole (CID 106784466) is 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(/C=C/CCCl)s1.
What is the InChIKey of 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZPWIVBGVEHXMJZ-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H7ClF3NS/c9-4-2-1-3-6-5-13-7(14-6)8(10,11)12/h1,3,5H,2,4H2/b3-1+.
What are the key properties of 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole?
5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 241.66 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).