2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide

C12H3Cl3F11NO2 — CID 71672259

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H3Cl3F11NO2/c13-3-1-4(14)6(5(15)2-3)27-7(28)8(16,10(19,20)21)29-12(25,26)9(17,18)11(22,23)24/h1-2H,(H,27,28)
InChIKeyQYQAKUDUFHTGQN-UHFFFAOYSA-N
MW508.50 g/mol
LogP6.62
Rot. Bonds5

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide (PubChem CID 71672259) has the molecular formula C12H3Cl3F11NO2 and a molecular weight of 508.50 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide
PubChem CID71672259
Molecular FormulaC12H3Cl3F11NO2
Molecular Weight508.50 g/mol
Exact Mass506.91
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H3Cl3F11NO2/c13-3-1-4(14)6(5(15)2-3)27-7(28)8(16,10(19,20)21)29-12(25,26)9(17,18)11(22,23)24/h1-2H,(H,27,28)
InChIKeyQYQAKUDUFHTGQN-UHFFFAOYSA-N
XLogP6.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,4,6-trichlorophenyl)propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide (CID 71672259) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)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-(2,4,6-trichlorophenyl)propanamide?
The InChIKey is QYQAKUDUFHTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3Cl3F11NO2/c13-3-1-4(14)6(5(15)2-3)27-7(28)8(16,10(19,20)21)29-12(25,26)9(17,18)11(22,23)24/h1-2H,(H,27,28).
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide has a molecular weight of 508.50 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 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-(2,4,6-trichlorophenyl)propanamide is sourced from PubChem (CID 71672259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).