2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide

C12H10F3NO4 — CID 158124392

IUPAC2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide
SMILESCOc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)[C@H](O)C2=O
InChIInChI=1S/C12H10F3NO4/c1-20-5-2-3-6-7(4-5)8(10(18)9(6)17)16-11(19)12(13,14)15/h2-4,8,10,18H,1H3,(H,16,19)/t8-,10+/m1/s1
InChIKeyFRZFFXMGAURSPA-SCZZXKLOSA-N
MW289.21 g/mol
LogP0.97
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide

2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide (PubChem CID 158124392) has the molecular formula C12H10F3NO4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide
PubChem CID158124392
Molecular FormulaC12H10F3NO4
Molecular Weight289.21 g/mol
Exact Mass289.06
IUPAC Name2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide
SMILESCOc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)[C@H](O)C2=O
InChIInChI=1S/C12H10F3NO4/c1-20-5-2-3-6-7(4-5)8(10(18)9(6)17)16-11(19)12(13,14)15/h2-4,8,10,18H,1H3,(H,16,19)/t8-,10+/m1/s1
InChIKeyFRZFFXMGAURSPA-SCZZXKLOSA-N
XLogP0.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide with MolForge

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Related Compounds

(2S,3S)-3-amino-2-hydroxy-5-methoxy-2,3-dihydroinden-1-one
CID 131859476
2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
CID 11076588
(3S)-2-tert-butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CID 97041575
2-tert-butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CID 70699956
methyl 6-methoxy-2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 619977
(2R,3R)-3-hydroxy-7-methoxy-2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 16758558
S-(7-methoxy-4-oxo-2,3-dihydrochromen-3-yl) 2,2,2-trifluoroethanethioate
CID 57178711
N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide
CID 18519074
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
2,2,2-trifluoro-N-[(6-methoxynaphthalen-2-yl)methoxy]acetamide
CID 19967321

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide (CID 158124392) is 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide is COc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)[C@H](O)C2=O.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide?
The InChIKey is FRZFFXMGAURSPA-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H10F3NO4/c1-20-5-2-3-6-7(4-5)8(10(18)9(6)17)16-11(19)12(13,14)15/h2-4,8,10,18H,1H3,(H,16,19)/t8-,10+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide?
2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide has a molecular weight of 289.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R,2S)-2-hydroxy-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]acetamide is sourced from PubChem (CID 158124392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).