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

C11H8F3NO2 — CID 11425044

IUPAC2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide
SMILESO=C1c2ccccc2C[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10(17)15-8-5-6-3-1-2-4-7(6)9(8)16/h1-4,8H,5H2,(H,15,17)/t8-/m0/s1
InChIKeyVPLURSABVWRHNR-QMMMGPOBSA-N
MW243.18 g/mol
LogP1.47
Rot. Bonds1

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

2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide (PubChem CID 11425044) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide
PubChem CID11425044
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide
SMILESO=C1c2ccccc2C[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10(17)15-8-5-6-3-1-2-4-7(6)9(8)16/h1-4,8H,5H2,(H,15,17)/t8-/m0/s1
InChIKeyVPLURSABVWRHNR-QMMMGPOBSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide (CID 11425044) is 2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide is O=C1c2ccccc2C[C@@H]1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide?
The InChIKey is VPLURSABVWRHNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)10(17)15-8-5-6-3-1-2-4-7(6)9(8)16/h1-4,8H,5H2,(H,15,17)/t8-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide has a molecular weight of 243.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide is sourced from PubChem (CID 11425044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).