5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

C9H11F4NOS — CID 103477037

IUPAC5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCCc1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C9H11F4NOS/c1-2-6-3-14-7(16-6)4-15-5-9(12,13)8(10)11/h3,8H,2,4-5H2,1H3
InChIKeyNZQQAMCBIOJBNQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.12
Rot. Bonds6

About 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (PubChem CID 103477037) has the molecular formula C9H11F4NOS and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
PubChem CID103477037
Molecular FormulaC9H11F4NOS
Molecular Weight257.25 g/mol
Exact Mass257.05
IUPAC Name5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCCc1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C9H11F4NOS/c1-2-6-3-14-7(16-6)4-15-5-9(12,13)8(10)11/h3,8H,2,4-5H2,1H3
InChIKeyNZQQAMCBIOJBNQ-UHFFFAOYSA-N
XLogP3.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (CID 103477037) is 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is CCc1cnc(COCC(F)(F)C(F)F)s1.
What is the InChIKey of 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is NZQQAMCBIOJBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NOS/c1-2-6-3-14-7(16-6)4-15-5-9(12,13)8(10)11/h3,8H,2,4-5H2,1H3.
What are the key properties of 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 257.25 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103477037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).