2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

C12H12F3NO2 — CID 175813762

IUPAC2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
SMILES[2H]CC(=O)N1CCc2cc(OC)c(C(F)(F)F)cc21
InChIInChI=1S/C12H12F3NO2/c1-7(17)16-4-3-8-5-11(18-2)9(6-10(8)16)12(13,14)15/h5-6H,3-4H2,1-2H3/i1D
InChIKeyZZGLARIUYJRXBG-MICDWDOJSA-N
MW260.23 g/mol
LogP2.62
Rot. Bonds2

About 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 175813762) has the molecular formula C12H12F3NO2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID175813762
Molecular FormulaC12H12F3NO2
Molecular Weight260.23 g/mol
Exact Mass260.09
IUPAC Name2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
SMILES[2H]CC(=O)N1CCc2cc(OC)c(C(F)(F)F)cc21
InChIInChI=1S/C12H12F3NO2/c1-7(17)16-4-3-8-5-11(18-2)9(6-10(8)16)12(13,14)15/h5-6H,3-4H2,1-2H3/i1D
InChIKeyZZGLARIUYJRXBG-MICDWDOJSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-N-phenyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10640590
[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-(3-pyrimidin-5-ylphenyl)methanone
CID 70083791
5-methoxy-N-(5-phenyl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10835537
N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 67595367
5-methoxy-N-phenyl-N-(pyridin-4-ylsulfonylmethyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 57183557
5-methoxy-N-phenyl-N-(pyridin-4-ylmethylsulfanyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 90771545
5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 71458824
5-methoxy-N-[3-(2-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10550406
N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 18005147
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
5-methoxy-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;4-(pyridin-4-ylsulfanylmethyl)aniline
CID 70081253
2-[2-fluoro-3-(trifluoromethyl)phenyl]-1-[5-methoxy-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone
CID 22711825

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (CID 175813762) is 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is [2H]CC(=O)N1CCc2cc(OC)c(C(F)(F)F)cc21.
What is the InChIKey of 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZZGLARIUYJRXBG-MICDWDOJSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-7(17)16-4-3-8-5-11(18-2)9(6-10(8)16)12(13,14)15/h5-6H,3-4H2,1-2H3/i1D.
What are the key properties of 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 260.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 175813762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).