2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide

C11H10F4N2O — CID 168515661

IUPAC2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1c(F)c(F)c(N2CCCC2)c(F)c1F
InChIInChI=1S/C11H10F4N2O/c12-6-5(11(16)18)7(13)9(15)10(8(6)14)17-3-1-2-4-17/h1-4H2,(H2,16,18)
InChIKeyZVIODVFUIXEUJF-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.94
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide

2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide (PubChem CID 168515661) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide
PubChem CID168515661
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1c(F)c(F)c(N2CCCC2)c(F)c1F
InChIInChI=1S/C11H10F4N2O/c12-6-5(11(16)18)7(13)9(15)10(8(6)14)17-3-1-2-4-17/h1-4H2,(H2,16,18)
InChIKeyZVIODVFUIXEUJF-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide (CID 168515661) is 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide is NC(=O)c1c(F)c(F)c(N2CCCC2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide?
The InChIKey is ZVIODVFUIXEUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O/c12-6-5(11(16)18)7(13)9(15)10(8(6)14)17-3-1-2-4-17/h1-4H2,(H2,16,18).
What are the key properties of 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide?
2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide has a molecular weight of 262.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 168515661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).