(5-fluoroindol-2-ylidene)methanone

C9H4FNO — CID 141371511

IUPAC(5-fluoroindol-2-ylidene)methanone
SMILESO=C=C1C=c2cc(F)ccc2=N1
InChIInChI=1S/C9H4FNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-4H
InChIKeyVXDIDIOPHJGCGK-UHFFFAOYSA-N
MW161.13 g/mol
LogP-0.05
Rot. Bonds

About (5-fluoroindol-2-ylidene)methanone

(5-fluoroindol-2-ylidene)methanone (PubChem CID 141371511) has the molecular formula C9H4FNO and a molecular weight of 161.13 g/mol. Its IUPAC name is (5-fluoroindol-2-ylidene)methanone.

Molecular Properties

Compound Name(5-fluoroindol-2-ylidene)methanone
PubChem CID141371511
Molecular FormulaC9H4FNO
Molecular Weight161.13 g/mol
Exact Mass161.03
IUPAC Name(5-fluoroindol-2-ylidene)methanone
SMILESO=C=C1C=c2cc(F)ccc2=N1
InChIInChI=1S/C9H4FNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-4H
InChIKeyVXDIDIOPHJGCGK-UHFFFAOYSA-N
XLogP-0.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-fluoroindol-2-ylidene)methanone?
The IUPAC name of (5-fluoroindol-2-ylidene)methanone (CID 141371511) is (5-fluoroindol-2-ylidene)methanone.
What is the SMILES notation for (5-fluoroindol-2-ylidene)methanone?
The canonical SMILES for (5-fluoroindol-2-ylidene)methanone is O=C=C1C=c2cc(F)ccc2=N1.
What is the InChIKey of (5-fluoroindol-2-ylidene)methanone?
The InChIKey is VXDIDIOPHJGCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-4H.
What are the key properties of (5-fluoroindol-2-ylidene)methanone?
(5-fluoroindol-2-ylidene)methanone has a molecular weight of 161.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoroindol-2-ylidene)methanone is sourced from PubChem (CID 141371511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).