(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide

C11H5F11N2O2 — CID 95240459

IUPAC(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide
SMILESO=C(Nc1cccnc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F11N2O2/c12-7(9(15,16)17,6(25)24-5-2-1-3-23-4-5)26-11(21,22)8(13,14)10(18,19)20/h1-4H,(H,24,25)/t7-/m0/s1
InChIKeyAOSMRZDCNPKCTL-ZETCQYMHSA-N
MW406.15 g/mol
LogP4.06
Rot. Bonds5

About (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide

(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide (PubChem CID 95240459) has the molecular formula C11H5F11N2O2 and a molecular weight of 406.15 g/mol. Its IUPAC name is (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide
PubChem CID95240459
Molecular FormulaC11H5F11N2O2
Molecular Weight406.15 g/mol
Exact Mass406.02
IUPAC Name(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide
SMILESO=C(Nc1cccnc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F11N2O2/c12-7(9(15,16)17,6(25)24-5-2-1-3-23-4-5)26-11(21,22)8(13,14)10(18,19)20/h1-4H,(H,24,25)/t7-/m0/s1
InChIKeyAOSMRZDCNPKCTL-ZETCQYMHSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.15
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide?
The IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide (CID 95240459) is (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide?
The canonical SMILES for (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide is O=C(Nc1cccnc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide?
The InChIKey is AOSMRZDCNPKCTL-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H5F11N2O2/c12-7(9(15,16)17,6(25)24-5-2-1-3-23-4-5)26-11(21,22)8(13,14)10(18,19)20/h1-4H,(H,24,25)/t7-/m0/s1.
What are the key properties of (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide?
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide has a molecular weight of 406.15 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 95240459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).