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

C10H11F4NOS — CID 103477029

IUPAC4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)C(F)(F)COCc1nc(C2CC2)cs1
InChIInChI=1S/C10H11F4NOS/c11-9(12)10(13,14)5-16-3-8-15-7(4-17-8)6-1-2-6/h4,6,9H,1-3,5H2
InChIKeyUXIKAWQUEBVHAT-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.44
Rot. Bonds6

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

4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (PubChem CID 103477029) has the molecular formula C10H11F4NOS and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
PubChem CID103477029
Molecular FormulaC10H11F4NOS
Molecular Weight269.26 g/mol
Exact Mass269.05
IUPAC Name4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)C(F)(F)COCc1nc(C2CC2)cs1
InChIInChI=1S/C10H11F4NOS/c11-9(12)10(13,14)5-16-3-8-15-7(4-17-8)6-1-2-6/h4,6,9H,1-3,5H2
InChIKeyUXIKAWQUEBVHAT-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.44
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-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (CID 103477029) is 4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is FC(F)C(F)(F)COCc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is UXIKAWQUEBVHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NOS/c11-9(12)10(13,14)5-16-3-8-15-7(4-17-8)6-1-2-6/h4,6,9H,1-3,5H2.
What are the key properties of 4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 269.26 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103477029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).