2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

C10H12F4N2O2S — CID 91770194

IUPAC2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCCc1cscn1
InChIInChI=1S/C10H12F4N2O2S/c11-9(12)10(13,14)5-18-3-8(17)15-2-1-7-4-19-6-16-7/h4,6,9H,1-3,5H2,(H,15,17)
InChIKeyYRDCIYVTFMCFQY-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.72
Rot. Bonds8

About 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 91770194) has the molecular formula C10H12F4N2O2S and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID91770194
Molecular FormulaC10H12F4N2O2S
Molecular Weight300.28 g/mol
Exact Mass300.06
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCCc1cscn1
InChIInChI=1S/C10H12F4N2O2S/c11-9(12)10(13,14)5-18-3-8(17)15-2-1-7-4-19-6-16-7/h4,6,9H,1-3,5H2,(H,15,17)
InChIKeyYRDCIYVTFMCFQY-UHFFFAOYSA-N
XLogP1.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 91770194) is 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is O=C(COCC(F)(F)C(F)F)NCCc1cscn1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is YRDCIYVTFMCFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O2S/c11-9(12)10(13,14)5-18-3-8(17)15-2-1-7-4-19-6-16-7/h4,6,9H,1-3,5H2,(H,15,17).
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 300.28 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 91770194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).