1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione

C11H8F2N2O4 — CID 169093043

IUPAC1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(F)(F)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H8F2N2O4/c12-11(13,5-14-7(16)1-2-8(14)17)6-15-9(18)3-4-10(15)19/h1-4H,5-6H2
InChIKeyYHCKDIJMQGCIMJ-UHFFFAOYSA-N
MW270.19 g/mol
LogP-0.53
Rot. Bonds4

About 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione

1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione (PubChem CID 169093043) has the molecular formula C11H8F2N2O4 and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione
PubChem CID169093043
Molecular FormulaC11H8F2N2O4
Molecular Weight270.19 g/mol
Exact Mass270.05
IUPAC Name1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(F)(F)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H8F2N2O4/c12-11(13,5-14-7(16)1-2-8(14)17)6-15-9(18)3-4-10(15)19/h1-4H,5-6H2
InChIKeyYHCKDIJMQGCIMJ-UHFFFAOYSA-N
XLogP-0.53
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione (CID 169093043) is 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC(F)(F)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione?
The InChIKey is YHCKDIJMQGCIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4/c12-11(13,5-14-7(16)1-2-8(14)17)6-15-9(18)3-4-10(15)19/h1-4H,5-6H2.
What are the key properties of 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione?
1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione has a molecular weight of 270.19 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrol-1-yl)-2,2-difluoropropyl]pyrrole-2,5-dione is sourced from PubChem (CID 169093043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).