4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one

C6H8FNO — CID 163509646

IUPAC4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one
SMILESCN1CC=C(CF)C1=O
InChIInChI=1S/C6H8FNO/c1-8-3-2-5(4-7)6(8)9/h2H,3-4H2,1H3
InChIKeyDBPLKELPQNOCIT-UHFFFAOYSA-N
MW129.13 g/mol
LogP0.35
Rot. Bonds1

About 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one

4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one (PubChem CID 163509646) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one
PubChem CID163509646
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one
SMILESCN1CC=C(CF)C1=O
InChIInChI=1S/C6H8FNO/c1-8-3-2-5(4-7)6(8)9/h2H,3-4H2,1H3
InChIKeyDBPLKELPQNOCIT-UHFFFAOYSA-N
XLogP0.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-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

Maleimide, N-ethyl-2-methyl-
CID 35753
1,3-dimethyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12412995
N-butyl-3-methyl-2,5-dihydro-2-pyrrolone
CID 13331586
3-methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 60977138
1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-
CID 12119846
1,3,4-Trimethyl-1H-pyrrol-2(5H)-one
CID 12294824
1,3-dimethyl-2H-pyrrol-5-one
CID 12394645
1,4-dimethyl-2H-pyrrol-5-one
CID 12394646
(E)-2-methyl-1-pyrrolidin-1-ylbut-2-en-1-one
CID 13638427
4-Methyl-1-(propan-2-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 14120553
3-Methyl-1-propylpyrrole-2,5-dione
CID 15697210
1-Butyl-3-methyl-1H-pyrrole-2,5-dione
CID 19068312

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one (CID 163509646) is 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one is CN1CC=C(CF)C1=O.
What is the InChIKey of 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one?
The InChIKey is DBPLKELPQNOCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-8-3-2-5(4-7)6(8)9/h2H,3-4H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one?
4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one has a molecular weight of 129.13 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 163509646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).