2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide

C12H12F3NO2 — CID 59423764

IUPAC2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)C[C@H]2O
InChIInChI=1S/C12H12F3NO2/c1-6-2-3-7-8(4-6)9(5-10(7)17)16-11(18)12(13,14)15/h2-4,9-10,17H,5H2,1H3,(H,16,18)/t9-,10+/m0/s1
InChIKeyILVKACIXGPDZAG-VHSXEESVSA-N
MW259.23 g/mol
LogP2.15
Rot. Bonds1

About 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide

2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 59423764) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID59423764
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)C[C@H]2O
InChIInChI=1S/C12H12F3NO2/c1-6-2-3-7-8(4-6)9(5-10(7)17)16-11(18)12(13,14)15/h2-4,9-10,17H,5H2,1H3,(H,16,18)/t9-,10+/m0/s1
InChIKeyILVKACIXGPDZAG-VHSXEESVSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide (CID 59423764) is 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide is Cc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)C[C@H]2O.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is ILVKACIXGPDZAG-VHSXEESVSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-6-2-3-7-8(4-6)9(5-10(7)17)16-11(18)12(13,14)15/h2-4,9-10,17H,5H2,1H3,(H,16,18)/t9-,10+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide?
2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 259.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 59423764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).