6-fluoro-2-methylidene-1H-indol-3-one

C9H6FNO — CID 129077498

IUPAC6-fluoro-2-methylidene-1H-indol-3-one
SMILESC=C1Nc2cc(F)ccc2C1=O
InChIInChI=1S/C9H6FNO/c1-5-9(12)7-3-2-6(10)4-8(7)11-5/h2-4,11H,1H2
InChIKeyFGXOUDYNBBVGDO-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.95
Rot. Bonds

About 6-fluoro-2-methylidene-1H-indol-3-one

6-fluoro-2-methylidene-1H-indol-3-one (PubChem CID 129077498) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 6-fluoro-2-methylidene-1H-indol-3-one.

Molecular Properties

Compound Name6-fluoro-2-methylidene-1H-indol-3-one
PubChem CID129077498
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name6-fluoro-2-methylidene-1H-indol-3-one
SMILESC=C1Nc2cc(F)ccc2C1=O
InChIInChI=1S/C9H6FNO/c1-5-9(12)7-3-2-6(10)4-8(7)11-5/h2-4,11H,1H2
InChIKeyFGXOUDYNBBVGDO-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one
CID 66640531
(7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one
CID 51353478
benzene;5-fluoroisoindole-1,3-dione
CID 174849792
7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone
CID 102202796
8-fluoro-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 82409687
6-fluoro-1H-indole-2,3-dione;methyl 6-fluoro-1H-indazole-3-carboxylate
CID 159968381
3-benzyl-8-fluoro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 54300452
9-fluoro-3-propan-2-yl-11H-benzo[c][1,5]benzothiazepin-6-one
CID 91450082
(3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one
CID 58926075
CID 147616014
CID 147616014
6-(2,4-difluorophenyl)sulfanyl-5-fluoro-1H-indole-2,3-dione
CID 80746944
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylidene-1H-indol-3-one?
The IUPAC name of 6-fluoro-2-methylidene-1H-indol-3-one (CID 129077498) is 6-fluoro-2-methylidene-1H-indol-3-one.
What is the SMILES notation for 6-fluoro-2-methylidene-1H-indol-3-one?
The canonical SMILES for 6-fluoro-2-methylidene-1H-indol-3-one is C=C1Nc2cc(F)ccc2C1=O.
What is the InChIKey of 6-fluoro-2-methylidene-1H-indol-3-one?
The InChIKey is FGXOUDYNBBVGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c1-5-9(12)7-3-2-6(10)4-8(7)11-5/h2-4,11H,1H2.
What are the key properties of 6-fluoro-2-methylidene-1H-indol-3-one?
6-fluoro-2-methylidene-1H-indol-3-one has a molecular weight of 163.15 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylidene-1H-indol-3-one is sourced from PubChem (CID 129077498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).