6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione

C16H10FNO2 — CID 14612226

IUPAC6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
SMILESO=C1NC(=O)C2c3ccc(F)cc3-c3ccccc3C12
InChIInChI=1S/C16H10FNO2/c17-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13-14(11)16(20)18-15(13)19/h1-7,13-14H,(H,18,19,20)
InChIKeyIZICXNRILKJPJZ-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.33
Rot. Bonds

About 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione

6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione (PubChem CID 14612226) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
PubChem CID14612226
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
SMILESO=C1NC(=O)C2c3ccc(F)cc3-c3ccccc3C12
InChIInChI=1S/C16H10FNO2/c17-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13-14(11)16(20)18-15(13)19/h1-7,13-14H,(H,18,19,20)
InChIKeyIZICXNRILKJPJZ-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione?
The IUPAC name of 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione (CID 14612226) is 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione.
What is the SMILES notation for 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione?
The canonical SMILES for 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione is O=C1NC(=O)C2c3ccc(F)cc3-c3ccccc3C12.
What is the InChIKey of 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione?
The InChIKey is IZICXNRILKJPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13-14(11)16(20)18-15(13)19/h1-7,13-14H,(H,18,19,20).
What are the key properties of 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione?
6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione has a molecular weight of 267.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione is sourced from PubChem (CID 14612226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).