2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one

C15H11F5N2O — CID 630231

IUPAC2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one
SMILESC=C1N(C(=O)C(F)(F)C(F)(F)F)CCC12C=Nc1ccccc12
InChIInChI=1S/C15H11F5N2O/c1-9-13(8-21-11-5-3-2-4-10(11)13)6-7-22(9)12(23)14(16,17)15(18,19)20/h2-5,8H,1,6-7H2
InChIKeyWFTZFKLGORVGHF-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.58
Rot. Bonds1

About 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one

2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one (PubChem CID 630231) has the molecular formula C15H11F5N2O and a molecular weight of 330.26 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one
PubChem CID630231
Molecular FormulaC15H11F5N2O
Molecular Weight330.26 g/mol
Exact Mass330.08
IUPAC Name2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one
SMILESC=C1N(C(=O)C(F)(F)C(F)(F)F)CCC12C=Nc1ccccc12
InChIInChI=1S/C15H11F5N2O/c1-9-13(8-21-11-5-3-2-4-10(11)13)6-7-22(9)12(23)14(16,17)15(18,19)20/h2-5,8H,1,6-7H2
InChIKeyWFTZFKLGORVGHF-UHFFFAOYSA-N
XLogP3.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
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 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one (CID 630231) is 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one is C=C1N(C(=O)C(F)(F)C(F)(F)F)CCC12C=Nc1ccccc12.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one?
The InChIKey is WFTZFKLGORVGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O/c1-9-13(8-21-11-5-3-2-4-10(11)13)6-7-22(9)12(23)14(16,17)15(18,19)20/h2-5,8H,1,6-7H2.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one?
2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one has a molecular weight of 330.26 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)propan-1-one is sourced from PubChem (CID 630231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).