2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide

C11H8F3NO — CID 19906414

IUPAC2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide
SMILESO=C(Nc1ccc2c(c1)C=CC2)C(F)(F)F
InChIInChI=1S/C11H8F3NO/c12-11(13,14)10(16)15-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2,(H,15,16)
InChIKeyVGAJTMSBGLLPLC-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.76
Rot. Bonds1

About 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide

2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide (PubChem CID 19906414) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide
PubChem CID19906414
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide
SMILESO=C(Nc1ccc2c(c1)C=CC2)C(F)(F)F
InChIInChI=1S/C11H8F3NO/c12-11(13,14)10(16)15-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2,(H,15,16)
InChIKeyVGAJTMSBGLLPLC-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide (CID 19906414) is 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide is O=C(Nc1ccc2c(c1)C=CC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide?
The InChIKey is VGAJTMSBGLLPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-11(13,14)10(16)15-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide?
2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide has a molecular weight of 227.19 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-inden-5-yl)acetamide is sourced from PubChem (CID 19906414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).