5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole

C9H7ClF3NS — CID 106784248

IUPAC5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CC(Cl)CC2)s1
InChIInChI=1S/C9H7ClF3NS/c10-6-2-1-5(3-6)7-4-14-8(15-7)9(11,12)13/h3-4,6H,1-2H2
InChIKeyHFZRLKHQCKMCHC-UHFFFAOYSA-N
MW253.68 g/mol
LogP3.95
Rot. Bonds1

About 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784248) has the molecular formula C9H7ClF3NS and a molecular weight of 253.68 g/mol. Its IUPAC name is 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784248
Molecular FormulaC9H7ClF3NS
Molecular Weight253.68 g/mol
Exact Mass252.99
IUPAC Name5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CC(Cl)CC2)s1
InChIInChI=1S/C9H7ClF3NS/c10-6-2-1-5(3-6)7-4-14-8(15-7)9(11,12)13/h3-4,6H,1-2H2
InChIKeyHFZRLKHQCKMCHC-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine
CID 106784194
5-(3-Chloropropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784216
5-(3-Chlorobutyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784217
5-(3-Chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784220
5-(3-Chloropentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784222
5-(3-Chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784246
5-(3-Chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784247
5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784466
5-(5-Chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784468
5-(3-Chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 107383872
5-[(3-Chlorocyclopenten-1-yl)methyl]-1,3-thiazole
CID 112644759

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784248) is 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C2=CC(Cl)CC2)s1.
What is the InChIKey of 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HFZRLKHQCKMCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NS/c10-6-2-1-5(3-6)7-4-14-8(15-7)9(11,12)13/h3-4,6H,1-2H2.
What are the key properties of 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 253.68 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).