2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide

C9H10F4N2OS — CID 104579242

IUPAC2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCC(CNC(=O)C(F)(F)C(F)F)c1nccs1
InChIInChI=1S/C9H10F4N2OS/c1-5(6-14-2-3-17-6)4-15-8(16)9(12,13)7(10)11/h2-3,5,7H,4H2,1H3,(H,15,16)
InChIKeyRDIMASAELNVLDA-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.26
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 104579242) has the molecular formula C9H10F4N2OS and a molecular weight of 270.25 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
PubChem CID104579242
Molecular FormulaC9H10F4N2OS
Molecular Weight270.25 g/mol
Exact Mass270.04
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCC(CNC(=O)C(F)(F)C(F)F)c1nccs1
InChIInChI=1S/C9H10F4N2OS/c1-5(6-14-2-3-17-6)4-15-8(16)9(12,13)7(10)11/h2-3,5,7H,4H2,1H3,(H,15,16)
InChIKeyRDIMASAELNVLDA-UHFFFAOYSA-N
XLogP2.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
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 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide (CID 104579242) is 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide is CC(CNC(=O)C(F)(F)C(F)F)c1nccs1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is RDIMASAELNVLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2OS/c1-5(6-14-2-3-17-6)4-15-8(16)9(12,13)7(10)11/h2-3,5,7H,4H2,1H3,(H,15,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 270.25 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 104579242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).