2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one

C12H10F3NO2 — CID 106702102

IUPAC2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC1CC12C(=O)Nc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C12H10F3NO2/c1-6-5-11(6)8-4-7(18-12(13,14)15)2-3-9(8)16-10(11)17/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyFWHLMZUJTBCDHF-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.81
Rot. Bonds1

About 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one

2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 106702102) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID106702102
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC1CC12C(=O)Nc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C12H10F3NO2/c1-6-5-11(6)8-4-7(18-12(13,14)15)2-3-9(8)16-10(11)17/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyFWHLMZUJTBCDHF-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2'S,3R)-2'-(hydroxymethyl)-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915744
ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 71200919
3-butyl-3-ethyl-5-(trifluoromethoxy)-1H-indol-2-one
CID 106702214
(3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one
CID 7333227
3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one
CID 118710075
(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7322135
2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84721821
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one
CID 58485431
3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956801
2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58840067
3-pent-3-ynyl-5-(trifluoromethoxy)-1,3-dihydroindol-2-one
CID 106987272
(2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 69105176

Frequently Asked Questions

What is the IUPAC name of 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 106702102) is 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one is CC1CC12C(=O)Nc1ccc(OC(F)(F)F)cc12.
What is the InChIKey of 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is FWHLMZUJTBCDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-6-5-11(6)8-4-7(18-12(13,14)15)2-3-9(8)16-10(11)17/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 257.21 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 106702102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).