3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine

C18H15F2N3 — CID 72792604

IUPAC3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine
SMILESCN1CC2(C=Nc3ccccc32)C(F)(F)/C1=N/c1ccccc1
InChIInChI=1S/C18H15F2N3/c1-23-12-17(11-21-15-10-6-5-9-14(15)17)18(19,20)16(23)22-13-7-3-2-4-8-13/h2-11H,12H2,1H3/b22-16-
InChIKeyZWENFXAPUGXYAS-JWGURIENSA-N
MW311.34 g/mol
LogP3.95
Rot. Bonds1

About 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine

3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine (PubChem CID 72792604) has the molecular formula C18H15F2N3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine.

Molecular Properties

Compound Name3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine
PubChem CID72792604
Molecular FormulaC18H15F2N3
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine
SMILESCN1CC2(C=Nc3ccccc32)C(F)(F)/C1=N/c1ccccc1
InChIInChI=1S/C18H15F2N3/c1-23-12-17(11-21-15-10-6-5-9-14(15)17)18(19,20)16(23)22-13-7-3-2-4-8-13/h2-11H,12H2,1H3/b22-16-
InChIKeyZWENFXAPUGXYAS-JWGURIENSA-N
XLogP3.95
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoroindole;hydrochloride
CID 172824632
spiro[aziridine-2,3'-indole]
CID 173099784
3-pyrrol-1-ylindol-3-amine
CID 174405091
3-phenylindole-3-carbaldehyde
CID 175244299
(3-methylindol-3-yl) formate
CID 164787795
3-[chloro(fluoro)methyl]-3-methylindole
CID 12518968
3-iodo-3-phenylindole
CID 175211436
3-bromoindol-3-ol
CID 68520694
3-isothiocyanato-3-methylindole
CID 146425198
(3-iodoindol-3-yl)-trimethylazanium
CID 174515957
4-(3-methylindol-3-yl)butanoic acid
CID 176812630
3,3-dimethyl-1,5-benzodiazepine
CID 67559989

Frequently Asked Questions

What is the IUPAC name of 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine?
The IUPAC name of 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine (CID 72792604) is 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine.
What is the SMILES notation for 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine?
The canonical SMILES for 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine is CN1CC2(C=Nc3ccccc32)C(F)(F)/C1=N/c1ccccc1.
What is the InChIKey of 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine?
The InChIKey is ZWENFXAPUGXYAS-JWGURIENSA-N. The full InChI is InChI=1S/C18H15F2N3/c1-23-12-17(11-21-15-10-6-5-9-14(15)17)18(19,20)16(23)22-13-7-3-2-4-8-13/h2-11H,12H2,1H3/b22-16-.
What are the key properties of 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine?
3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine has a molecular weight of 311.34 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine is sourced from PubChem (CID 72792604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).