1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one

C11H13F2NO — CID 91269404

IUPAC1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one
SMILESCC=C(F)C1=C(C=CF)CN(CC)C1=O
InChIInChI=1S/C11H13F2NO/c1-3-9(13)10-8(5-6-12)7-14(4-2)11(10)15/h3,5-6H,4,7H2,1-2H3
InChIKeyGMMRPTZEDAGFSL-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.50
Rot. Bonds3

About 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one

1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one (PubChem CID 91269404) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one
PubChem CID91269404
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one
SMILESCC=C(F)C1=C(C=CF)CN(CC)C1=O
InChIInChI=1S/C11H13F2NO/c1-3-9(13)10-8(5-6-12)7-14(4-2)11(10)15/h3,5-6H,4,7H2,1-2H3
InChIKeyGMMRPTZEDAGFSL-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one?
The IUPAC name of 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one (CID 91269404) is 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one is CC=C(F)C1=C(C=CF)CN(CC)C1=O.
What is the InChIKey of 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one?
The InChIKey is GMMRPTZEDAGFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-3-9(13)10-8(5-6-12)7-14(4-2)11(10)15/h3,5-6H,4,7H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one?
1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one has a molecular weight of 213.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one is sourced from PubChem (CID 91269404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).