4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

C7H7ClF3NOS — CID 43138134

IUPAC4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESFC(F)(F)COCc1nc(CCl)cs1
InChIInChI=1S/C7H7ClF3NOS/c8-1-5-3-14-6(12-5)2-13-4-7(9,10)11/h3H,1-2,4H2
InChIKeyVPOMYCDHZSGQDG-UHFFFAOYSA-N
MW245.65 g/mol
LogP2.96
Rot. Bonds4

About 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (PubChem CID 43138134) has the molecular formula C7H7ClF3NOS and a molecular weight of 245.65 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
PubChem CID43138134
Molecular FormulaC7H7ClF3NOS
Molecular Weight245.65 g/mol
Exact Mass244.99
IUPAC Name4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESFC(F)(F)COCc1nc(CCl)cs1
InChIInChI=1S/C7H7ClF3NOS/c8-1-5-3-14-6(12-5)2-13-4-7(9,10)11/h3H,1-2,4H2
InChIKeyVPOMYCDHZSGQDG-UHFFFAOYSA-N
XLogP2.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.65
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (CID 43138134) is 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is FC(F)(F)COCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The InChIKey is VPOMYCDHZSGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NOS/c8-1-5-3-14-6(12-5)2-13-4-7(9,10)11/h3H,1-2,4H2.
What are the key properties of 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole has a molecular weight of 245.65 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 43138134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).