4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

C10H13ClF3NOS — CID 103146518

IUPAC4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)(F)COCCc1nc(CCCCl)cs1
InChIInChI=1S/C10H13ClF3NOS/c11-4-1-2-8-6-17-9(15-8)3-5-16-7-10(12,13)14/h6H,1-5,7H2
InChIKeyZEKYWCNMDQOMCU-UHFFFAOYSA-N
MW287.73 g/mol
LogP3.44
Rot. Bonds7

About 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (PubChem CID 103146518) has the molecular formula C10H13ClF3NOS and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
PubChem CID103146518
Molecular FormulaC10H13ClF3NOS
Molecular Weight287.73 g/mol
Exact Mass287.04
IUPAC Name4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)(F)COCCc1nc(CCCCl)cs1
InChIInChI=1S/C10H13ClF3NOS/c11-4-1-2-8-6-17-9(15-8)3-5-16-7-10(12,13)14/h6H,1-5,7H2
InChIKeyZEKYWCNMDQOMCU-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (CID 103146518) is 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is FC(F)(F)COCCc1nc(CCCCl)cs1.
What is the InChIKey of 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The InChIKey is ZEKYWCNMDQOMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NOS/c11-4-1-2-8-6-17-9(15-8)3-5-16-7-10(12,13)14/h6H,1-5,7H2.
What are the key properties of 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole has a molecular weight of 287.73 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 103146518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).