1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione

C14H10F2N2O4 — CID 166881557

IUPAC1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione
SMILESC=C(F)C(=O)N1CC=C(/C=C(\F)C(=O)N2C(=O)C=CC2=O)C1
InChIInChI=1S/C14H10F2N2O4/c1-8(15)13(21)17-5-4-9(7-17)6-10(16)14(22)18-11(19)2-3-12(18)20/h2-4,6H,1,5,7H2/b10-6-
InChIKeyCXXYKYBOPFJLHN-POHAHGRESA-N
MW308.24 g/mol
LogP0.54
Rot. Bonds3

About 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione

1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione (PubChem CID 166881557) has the molecular formula C14H10F2N2O4 and a molecular weight of 308.24 g/mol. Its IUPAC name is 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione
PubChem CID166881557
Molecular FormulaC14H10F2N2O4
Molecular Weight308.24 g/mol
Exact Mass308.06
IUPAC Name1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione
SMILESC=C(F)C(=O)N1CC=C(/C=C(\F)C(=O)N2C(=O)C=CC2=O)C1
InChIInChI=1S/C14H10F2N2O4/c1-8(15)13(21)17-5-4-9(7-17)6-10(16)14(22)18-11(19)2-3-12(18)20/h2-4,6H,1,5,7H2/b10-6-
InChIKeyCXXYKYBOPFJLHN-POHAHGRESA-N
XLogP0.54
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione (CID 166881557) is 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione is C=C(F)C(=O)N1CC=C(/C=C(\F)C(=O)N2C(=O)C=CC2=O)C1.
What is the InChIKey of 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione?
The InChIKey is CXXYKYBOPFJLHN-POHAHGRESA-N. The full InChI is InChI=1S/C14H10F2N2O4/c1-8(15)13(21)17-5-4-9(7-17)6-10(16)14(22)18-11(19)2-3-12(18)20/h2-4,6H,1,5,7H2/b10-6-.
What are the key properties of 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione?
1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione has a molecular weight of 308.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione is sourced from PubChem (CID 166881557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).