2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone

C12H12F3NO — CID 13496904

IUPAC2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCCC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)11(17)16-8-4-7-10(16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyDHLOXDXANJRSOD-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.91
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone

2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone (PubChem CID 13496904) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone
PubChem CID13496904
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCCC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)11(17)16-8-4-7-10(16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyDHLOXDXANJRSOD-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone (CID 13496904) is 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone is O=C(N1CCCC1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is DHLOXDXANJRSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)11(17)16-8-4-7-10(16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone?
2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 243.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 13496904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).