2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone

C14H11F3N2O — CID 14048773

IUPAC2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone
SMILESC=C1N(C(=O)C(F)(F)F)CCC12C=Nc1ccccc12
InChIInChI=1S/C14H11F3N2O/c1-9-13(6-7-19(9)12(20)14(15,16)17)8-18-11-5-3-2-4-10(11)13/h2-5,8H,1,6-7H2
InChIKeyNRUWWPGUUNNZSC-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.95
Rot. Bonds

About 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone

2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone (PubChem CID 14048773) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone
PubChem CID14048773
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone
SMILESC=C1N(C(=O)C(F)(F)F)CCC12C=Nc1ccccc12
InChIInChI=1S/C14H11F3N2O/c1-9-13(6-7-19(9)12(20)14(15,16)17)8-18-11-5-3-2-4-10(11)13/h2-5,8H,1,6-7H2
InChIKeyNRUWWPGUUNNZSC-UHFFFAOYSA-N
XLogP2.95
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone (CID 14048773) is 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone is C=C1N(C(=O)C(F)(F)F)CCC12C=Nc1ccccc12.
What is the InChIKey of 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone?
The InChIKey is NRUWWPGUUNNZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-9-13(6-7-19(9)12(20)14(15,16)17)8-18-11-5-3-2-4-10(11)13/h2-5,8H,1,6-7H2.
What are the key properties of 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone?
2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone has a molecular weight of 280.25 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone is sourced from PubChem (CID 14048773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).