2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide

C12H12F3NO — CID 22499214

IUPAC2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide
SMILESCC1(NC(=O)C(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C12H12F3NO/c1-11(16-10(17)12(13,14)15)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyWXAPHLBKQULQIY-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.22
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide

2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide (PubChem CID 22499214) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide
PubChem CID22499214
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide
SMILESCC1(NC(=O)C(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C12H12F3NO/c1-11(16-10(17)12(13,14)15)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyWXAPHLBKQULQIY-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide (CID 22499214) is 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide is CC1(NC(=O)C(F)(F)F)Cc2ccccc2C1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide?
The InChIKey is WXAPHLBKQULQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-11(16-10(17)12(13,14)15)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide has a molecular weight of 243.23 g/mol, XLogP of 2.22, 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-(2-methyl-1,3-dihydroinden-2-yl)acetamide is sourced from PubChem (CID 22499214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).