(2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide

C11H9F5N2O — CID 25228293

IUPAC(2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCN1
InChIInChI=1S/C11H9F5N2O/c12-5-6(13)8(15)10(9(16)7(5)14)18-11(19)4-2-1-3-17-4/h4,17H,1-3H2,(H,18,19)/t4-/m0/s1
InChIKeyQACVCVKUWCBPRE-BYPYZUCNSA-N
MW280.20 g/mol
LogP2.07
Rot. Bonds2

About (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide

(2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 25228293) has the molecular formula C11H9F5N2O and a molecular weight of 280.20 g/mol. Its IUPAC name is (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
PubChem CID25228293
Molecular FormulaC11H9F5N2O
Molecular Weight280.20 g/mol
Exact Mass280.06
IUPAC Name(2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCN1
InChIInChI=1S/C11H9F5N2O/c12-5-6(13)8(15)10(9(16)7(5)14)18-11(19)4-2-1-3-17-4/h4,17H,1-3H2,(H,18,19)/t4-/m0/s1
InChIKeyQACVCVKUWCBPRE-BYPYZUCNSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide (CID 25228293) is (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is QACVCVKUWCBPRE-BYPYZUCNSA-N. The full InChI is InChI=1S/C11H9F5N2O/c12-5-6(13)8(15)10(9(16)7(5)14)18-11(19)4-2-1-3-17-4/h4,17H,1-3H2,(H,18,19)/t4-/m0/s1.
What are the key properties of (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide?
(2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 280.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 25228293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).