2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide

C9H3F11N2O2S — CID 71672318

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F11N2O2S/c10-5(7(13,14)15,3(23)22-4-21-1-2-25-4)24-9(19,20)6(11,12)8(16,17)18/h1-2H,(H,21,22,23)
InChIKeyTUDQOXJMNNAYNE-UHFFFAOYSA-N
MW412.18 g/mol
LogP4.12
Rot. Bonds5

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71672318) has the molecular formula C9H3F11N2O2S and a molecular weight of 412.18 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71672318
Molecular FormulaC9H3F11N2O2S
Molecular Weight412.18 g/mol
Exact Mass411.97
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F11N2O2S/c10-5(7(13,14)15,3(23)22-4-21-1-2-25-4)24-9(19,20)6(11,12)8(16,17)18/h1-2H,(H,21,22,23)
InChIKeyTUDQOXJMNNAYNE-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.18
LogP ≤ 54.12
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 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 71672318) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is TUDQOXJMNNAYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F11N2O2S/c10-5(7(13,14)15,3(23)22-4-21-1-2-25-4)24-9(19,20)6(11,12)8(16,17)18/h1-2H,(H,21,22,23).
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 412.18 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71672318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).