4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one

C7H8F3NO — CID 118376936

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
SMILESCC1=CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C7H8F3NO/c1-5-2-3-11(6(5)12)4-7(8,9)10/h2H,3-4H2,1H3
InChIKeyVJQXANMBYRMVKD-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.34
Rot. Bonds1

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

4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one (PubChem CID 118376936) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
PubChem CID118376936
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
SMILESCC1=CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C7H8F3NO/c1-5-2-3-11(6(5)12)4-7(8,9)10/h2H,3-4H2,1H3
InChIKeyVJQXANMBYRMVKD-UHFFFAOYSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Maleimide, N-ethyl-2-methyl-
CID 35753
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
N,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
1,3-dimethyl-2H-pyrrol-5-one
CID 12394645
1,4-dimethyl-2H-pyrrol-5-one
CID 12394646
3-Methyl-1-propylpyrrole-2,5-dione
CID 15697210
(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide
CID 15399693
1-Methyl-3-(trifluoromethyl)pyrrole-2,5-dione
CID 18513440
2,2,2-Trifluoro-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone
CID 58450998
1-(3,3,3-trifluoropropyl)-2H-pyrrol-5-one
CID 69764764
N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide
CID 88558388

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one (CID 118376936) is 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one is CC1=CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
The InChIKey is VJQXANMBYRMVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-5-2-3-11(6(5)12)4-7(8,9)10/h2H,3-4H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one has a molecular weight of 179.14 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 118376936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).