(2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

C12H4Cl2F11NO2 — CID 163179327

IUPAC(2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESO=C(Nc1c(Cl)cccc1Cl)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H4Cl2F11NO2/c13-4-2-1-3-5(14)6(4)26-7(27)8(15,10(18,19)20)28-12(24,25)9(16,17)11(21,22)23/h1-3H,(H,26,27)/t8-/m0/s1
InChIKeyYMMLMVKAUSOBLH-QMMMGPOBSA-N
MW474.05 g/mol
LogP5.97
Rot. Bonds5

About (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

(2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (PubChem CID 163179327) has the molecular formula C12H4Cl2F11NO2 and a molecular weight of 474.05 g/mol. Its IUPAC name is (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
PubChem CID163179327
Molecular FormulaC12H4Cl2F11NO2
Molecular Weight474.05 g/mol
Exact Mass472.94
IUPAC Name(2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESO=C(Nc1c(Cl)cccc1Cl)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H4Cl2F11NO2/c13-4-2-1-3-5(14)6(4)26-7(27)8(15,10(18,19)20)28-12(24,25)9(16,17)11(21,22)23/h1-3H,(H,26,27)/t8-/m0/s1
InChIKeyYMMLMVKAUSOBLH-QMMMGPOBSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.05
LogP ≤ 55.97
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 (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The IUPAC name of (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (CID 163179327) is (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The canonical SMILES for (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is O=C(Nc1c(Cl)cccc1Cl)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The InChIKey is YMMLMVKAUSOBLH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H4Cl2F11NO2/c13-4-2-1-3-5(14)6(4)26-7(27)8(15,10(18,19)20)28-12(24,25)9(16,17)11(21,22)23/h1-3H,(H,26,27)/t8-/m0/s1.
What are the key properties of (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
(2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide has a molecular weight of 474.05 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is sourced from PubChem (CID 163179327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).