1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone

C8H10F3NO — CID 131153915

IUPAC1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESC=C[C@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-6-4-3-5-12(6)7(13)8(9,10)11/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyIPJUBLUVCBZZRL-LURJTMIESA-N
MW193.17 g/mol
LogP1.73
Rot. Bonds1

About 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone

1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 131153915) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID131153915
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESC=C[C@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-6-4-3-5-12(6)7(13)8(9,10)11/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyIPJUBLUVCBZZRL-LURJTMIESA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone (CID 131153915) is 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone is C=C[C@H]1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is IPJUBLUVCBZZRL-LURJTMIESA-N. The full InChI is InChI=1S/C8H10F3NO/c1-2-6-4-3-5-12(6)7(13)8(9,10)11/h2,6H,1,3-5H2/t6-/m0/s1.
What are the key properties of 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 193.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 131153915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).