(2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

C14H10F11NO2 — CID 163178934

IUPAC(2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESCc1ccc(NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C14H10F11NO2/c1-6-3-4-8(5-7(6)2)26-9(27)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h3-5H,1-2H3,(H,26,27)/t10-/m0/s1
InChIKeyYIQYJZOWNCTIOS-JTQLQIEISA-N
MW433.22 g/mol
LogP5.28
Rot. Bonds5

About (2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

(2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (PubChem CID 163178934) has the molecular formula C14H10F11NO2 and a molecular weight of 433.22 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
PubChem CID163178934
Molecular FormulaC14H10F11NO2
Molecular Weight433.22 g/mol
Exact Mass433.05
IUPAC Name(2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESCc1ccc(NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C14H10F11NO2/c1-6-3-4-8(5-7(6)2)26-9(27)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h3-5H,1-2H3,(H,26,27)/t10-/m0/s1
InChIKeyYIQYJZOWNCTIOS-JTQLQIEISA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.22
LogP ≤ 55.28
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-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (CID 163178934) is (2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The canonical SMILES for (2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is Cc1ccc(NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1C.
What is the InChIKey of (2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The InChIKey is YIQYJZOWNCTIOS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H10F11NO2/c1-6-3-4-8(5-7(6)2)26-9(27)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h3-5H,1-2H3,(H,26,27)/t10-/m0/s1.
What are the key properties of (2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
(2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide has a molecular weight of 433.22 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is sourced from PubChem (CID 163178934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).