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

C7H10F3NO — CID 21355182

IUPAC2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5-3-2-4-11(5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyBQWMMFLICUKKOE-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.56
Rot. Bonds

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

2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone (PubChem CID 21355182) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone
PubChem CID21355182
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5-3-2-4-11(5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyBQWMMFLICUKKOE-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.56
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-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone (CID 21355182) is 2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone is CC1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone?
The InChIKey is BQWMMFLICUKKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-5-3-2-4-11(5)6(12)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone?
2,2,2-trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone has a molecular weight of 181.16 g/mol, XLogP of 1.56, 0 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-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 21355182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).