4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

C10H13F4NOS — CID 103477033

IUPAC4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCCCc1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13F4NOS/c1-2-3-7-5-17-8(15-7)4-16-6-10(13,14)9(11)12/h5,9H,2-4,6H2,1H3
InChIKeyYZKOBBAXIDLXND-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.51
Rot. Bonds7

About 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (PubChem CID 103477033) has the molecular formula C10H13F4NOS and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
PubChem CID103477033
Molecular FormulaC10H13F4NOS
Molecular Weight271.28 g/mol
Exact Mass271.07
IUPAC Name4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCCCc1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13F4NOS/c1-2-3-7-5-17-8(15-7)4-16-6-10(13,14)9(11)12/h5,9H,2-4,6H2,1H3
InChIKeyYZKOBBAXIDLXND-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.51
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 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (CID 103477033) is 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is CCCc1csc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is YZKOBBAXIDLXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NOS/c1-2-3-7-5-17-8(15-7)4-16-6-10(13,14)9(11)12/h5,9H,2-4,6H2,1H3.
What are the key properties of 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 271.28 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103477033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).