2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone

C7H10F3NO — CID 116836462

IUPAC2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-11-3-2-5(4-11)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeySYLVHNIZVDOUII-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.07
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone

2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone (PubChem CID 116836462) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone
PubChem CID116836462
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-11-3-2-5(4-11)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeySYLVHNIZVDOUII-UHFFFAOYSA-N
XLogP1.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone (CID 116836462) is 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone is CN1CCC(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone?
The InChIKey is SYLVHNIZVDOUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-11-3-2-5(4-11)6(12)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone?
2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone has a molecular weight of 181.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116836462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).