tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate

C17H17F3N2O2 — CID 135026078

IUPACtert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC2(C1)C(C(F)(F)F)=Nc1ccccc12
InChIInChI=1S/C17H17F3N2O2/c1-15(2,3)24-14(23)22-9-8-16(10-22)11-6-4-5-7-12(11)21-13(16)17(18,19)20/h4-9H,10H2,1-3H3
InChIKeyUTGCIXPCZYCEPR-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.34
Rot. Bonds

About tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate

tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate (PubChem CID 135026078) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
PubChem CID135026078
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Nametert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC2(C1)C(C(F)(F)F)=Nc1ccccc12
InChIInChI=1S/C17H17F3N2O2/c1-15(2,3)24-14(23)22-9-8-16(10-22)11-6-4-5-7-12(11)21-13(16)17(18,19)20/h4-9H,10H2,1-3H3
InChIKeyUTGCIXPCZYCEPR-UHFFFAOYSA-N
XLogP4.34
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2'S)-4'-ethenyl-2'-(4-fluorophenyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134955311
Tert-butyl 4-[2-amino-4-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-1-carboxylate
CID 135008813
Oxazolo[3,4-a]pyridin-3-one, 1,5,6,7-tetrahydro-1,1-dimethyl-7,3'-spiro(7-trifluoromethyl-2-methyl-3H-indole)-
CID 622095
tert-butyl 1'-(2,2,2-trifluoroacetyl)spiro[2,3-dihydropyridine-4,3'-2H-indole]-1-carboxylate
CID 57576665
tert-butyl 2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindole-1-carboxylate
CID 58433070
2-Tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid
CID 67375458
Tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 67375460
tert-butyl 1'-(2,2,2-trifluoroacetyl)spiro[2,3-dihydropyridine-4,3'-2H-indole]-1-carboxylate;ethane
CID 90912333
Tert-butyl 4-(trifluoromethyl)spiro[indole-3,4'-piperidine]-1'-carboxylate
CID 118195861
tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 162727010
N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide
CID 167106132
tert-butyl (3R)-3-fluoro-4-[(2-propan-2-ylphenyl)iminomethyl]piperidine-1-carboxylate
CID 167457150

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
The IUPAC name of tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate (CID 135026078) is tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate.
What is the SMILES notation for tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
The canonical SMILES for tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate is CC(C)(C)OC(=O)N1C=CC2(C1)C(C(F)(F)F)=Nc1ccccc12.
What is the InChIKey of tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
The InChIKey is UTGCIXPCZYCEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-15(2,3)24-14(23)22-9-8-16(10-22)11-6-4-5-7-12(11)21-13(16)17(18,19)20/h4-9H,10H2,1-3H3.
What are the key properties of tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate has a molecular weight of 338.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate is sourced from PubChem (CID 135026078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).