(3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one

C19H11F2NO — CID 52944383

IUPAC(3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1cc(F)c2cccccc1-2
InChIInChI=1S/C19H11F2NO/c20-12-6-7-18-15(10-12)16(19(23)22-18)8-11-9-17(21)14-5-3-1-2-4-13(11)14/h1-10H,(H,22,23)/b16-8-
InChIKeyUAPISUASGFYDRE-PXNMLYILSA-N
MW307.30 g/mol
LogP4.56
Rot. Bonds1

About (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one

(3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one (PubChem CID 52944383) has the molecular formula C19H11F2NO and a molecular weight of 307.30 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one
PubChem CID52944383
Molecular FormulaC19H11F2NO
Molecular Weight307.30 g/mol
Exact Mass307.08
IUPAC Name(3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1cc(F)c2cccccc1-2
InChIInChI=1S/C19H11F2NO/c20-12-6-7-18-15(10-12)16(19(23)22-18)8-11-9-17(21)14-5-3-1-2-4-13(11)14/h1-10H,(H,22,23)/b16-8-
InChIKeyUAPISUASGFYDRE-PXNMLYILSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one (CID 52944383) is (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C/c1cc(F)c2cccccc1-2.
What is the InChIKey of (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one?
The InChIKey is UAPISUASGFYDRE-PXNMLYILSA-N. The full InChI is InChI=1S/C19H11F2NO/c20-12-6-7-18-15(10-12)16(19(23)22-18)8-11-9-17(21)14-5-3-1-2-4-13(11)14/h1-10H,(H,22,23)/b16-8-.
What are the key properties of (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one?
(3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one has a molecular weight of 307.30 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-[(3-fluoroazulen-1-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 52944383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).