2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide

C12H3F17N2O3S — CID 71672747

IUPAC2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H3F17N2O3S/c13-5(8(17,18)19,3(32)31-4-30-1-2-35-4)33-12(28,29)7(16,10(23,24)25)34-11(26,27)6(14,15)9(20,21)22/h1-2H,(H,30,31,32)
InChIKeyOHRZFHMJTCWFNY-UHFFFAOYSA-N
MW578.20 g/mol
LogP5.95
Rot. Bonds8

About 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71672747) has the molecular formula C12H3F17N2O3S and a molecular weight of 578.20 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71672747
Molecular FormulaC12H3F17N2O3S
Molecular Weight578.20 g/mol
Exact Mass577.96
IUPAC Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H3F17N2O3S/c13-5(8(17,18)19,3(32)31-4-30-1-2-35-4)33-12(28,29)7(16,10(23,24)25)34-11(26,27)6(14,15)9(20,21)22/h1-2H,(H,30,31,32)
InChIKeyOHRZFHMJTCWFNY-UHFFFAOYSA-N
XLogP5.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.20
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide (CID 71672747) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is OHRZFHMJTCWFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F17N2O3S/c13-5(8(17,18)19,3(32)31-4-30-1-2-35-4)33-12(28,29)7(16,10(23,24)25)34-11(26,27)6(14,15)9(20,21)22/h1-2H,(H,30,31,32).
What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide?
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 578.20 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71672747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).