2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole

C8H9ClF3NOS — CID 82788402

IUPAC2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole
SMILESFC(F)(F)CCCOCc1cnc(Cl)s1
InChIInChI=1S/C8H9ClF3NOS/c9-7-13-4-6(15-7)5-14-3-1-2-8(10,11)12/h4H,1-3,5H2
InChIKeyRSIQKADXJRLGGM-UHFFFAOYSA-N
MW259.68 g/mol
LogP3.66
Rot. Bonds5

About 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole

2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole (PubChem CID 82788402) has the molecular formula C8H9ClF3NOS and a molecular weight of 259.68 g/mol. Its IUPAC name is 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole
PubChem CID82788402
Molecular FormulaC8H9ClF3NOS
Molecular Weight259.68 g/mol
Exact Mass259.00
IUPAC Name2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole
SMILESFC(F)(F)CCCOCc1cnc(Cl)s1
InChIInChI=1S/C8H9ClF3NOS/c9-7-13-4-6(15-7)5-14-3-1-2-8(10,11)12/h4H,1-3,5H2
InChIKeyRSIQKADXJRLGGM-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole (CID 82788402) is 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole is FC(F)(F)CCCOCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole?
The InChIKey is RSIQKADXJRLGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NOS/c9-7-13-4-6(15-7)5-14-3-1-2-8(10,11)12/h4H,1-3,5H2.
What are the key properties of 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole?
2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole has a molecular weight of 259.68 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazole is sourced from PubChem (CID 82788402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).