1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one

C8H10F3NO — CID 89021669

IUPAC1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one
SMILESO=C1CCCN1/C=C/CC(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)4-2-6-12-5-1-3-7(12)13/h2,6H,1,3-5H2/b6-2+
InChIKeyBYQSYKUWHKRBMI-QHHAFSJGSA-N
MW193.17 g/mol
LogP2.07
Rot. Bonds2

About 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one

1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one (PubChem CID 89021669) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one
PubChem CID89021669
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one
SMILESO=C1CCCN1/C=C/CC(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)4-2-6-12-5-1-3-7(12)13/h2,6H,1,3-5H2/b6-2+
InChIKeyBYQSYKUWHKRBMI-QHHAFSJGSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one (CID 89021669) is 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one is O=C1CCCN1/C=C/CC(F)(F)F.
What is the InChIKey of 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one?
The InChIKey is BYQSYKUWHKRBMI-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)4-2-6-12-5-1-3-7(12)13/h2,6H,1,3-5H2/b6-2+.
What are the key properties of 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one?
1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one has a molecular weight of 193.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 89021669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).