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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-2-iodoethenyl]pyrrolidin-2-one
CID 124586002
1-penta-1,3-dienylpyrrolidin-2-one
CID 170549947
1-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
CID 102308122
1-[(E)-3-oxobut-1-enyl]pyrrolidin-2-one
CID 131233341
1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride
CID 141325975
1-(2,2,2-trifluoroethyl)azetidin-2-one
CID 67080567
1-(3-aminoprop-2-enyl)pyrrolidin-2-one
CID 67120003
1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one
CID 87276105
1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one
CID 22992740
1-(2,2-dihydroxyethenyl)pyrrolidin-2-one
CID 175238388
1-buta-1,3-dienylpyrrolidin-2-one;thiophene
CID 175032170
acetic acid;1-(2-hydroperoxyethenyl)pyrrolidin-2-one
CID 173024590

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).