5-(4-chlorobutyl)-7-fluoroindol-2-one

C12H11ClFNO — CID 142631356

IUPAC5-(4-chlorobutyl)-7-fluoroindol-2-one
SMILESO=C1C=c2cc(CCCCCl)cc(F)c2=N1
InChIInChI=1S/C12H11ClFNO/c13-4-2-1-3-8-5-9-7-11(16)15-12(9)10(14)6-8/h5-7H,1-4H2
InChIKeyQEHFAIKZCGVAON-UHFFFAOYSA-N
MW239.68 g/mol
LogP1.33
Rot. Bonds4

About 5-(4-chlorobutyl)-7-fluoroindol-2-one

5-(4-chlorobutyl)-7-fluoroindol-2-one (PubChem CID 142631356) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 5-(4-chlorobutyl)-7-fluoroindol-2-one.

Molecular Properties

Compound Name5-(4-chlorobutyl)-7-fluoroindol-2-one
PubChem CID142631356
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name5-(4-chlorobutyl)-7-fluoroindol-2-one
SMILESO=C1C=c2cc(CCCCCl)cc(F)c2=N1
InChIInChI=1S/C12H11ClFNO/c13-4-2-1-3-8-5-9-7-11(16)15-12(9)10(14)6-8/h5-7H,1-4H2
InChIKeyQEHFAIKZCGVAON-UHFFFAOYSA-N
XLogP1.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Chloroethyl)-7-fluoroindol-2-one
CID 142631353
5-(2-Chloroethyl)-6-fluoroindol-2-one
CID 142631364
5-(2-Chloroacetyl)-7-fluoroindol-2-one
CID 142631370
7-Chloro-3-fluoroindol-2-one
CID 149947713
4-(1-Chloroethyl)-3-fluoroindol-2-one
CID 150265423
6-Chloro-5-fluoroindol-2-one
CID 150510404
4-Chloro-5-fluoroindol-2-one
CID 152256182
7-Chloro-5-fluoroindol-2-one
CID 160921302
3-(1-Chloro-2-fluoroethyl)indol-2-one
CID 175017063
6-Chloro-4-fluoroindol-2-one
CID 171699771
4-Chloroindol-2-one
CID 23212391
5-Chloro-7-methylindol-2-one
CID 46739857

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobutyl)-7-fluoroindol-2-one?
The IUPAC name of 5-(4-chlorobutyl)-7-fluoroindol-2-one (CID 142631356) is 5-(4-chlorobutyl)-7-fluoroindol-2-one.
What is the SMILES notation for 5-(4-chlorobutyl)-7-fluoroindol-2-one?
The canonical SMILES for 5-(4-chlorobutyl)-7-fluoroindol-2-one is O=C1C=c2cc(CCCCCl)cc(F)c2=N1.
What is the InChIKey of 5-(4-chlorobutyl)-7-fluoroindol-2-one?
The InChIKey is QEHFAIKZCGVAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-4-2-1-3-8-5-9-7-11(16)15-12(9)10(14)6-8/h5-7H,1-4H2.
What are the key properties of 5-(4-chlorobutyl)-7-fluoroindol-2-one?
5-(4-chlorobutyl)-7-fluoroindol-2-one has a molecular weight of 239.68 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobutyl)-7-fluoroindol-2-one is sourced from PubChem (CID 142631356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).