5-(2-chloroethyl)-6-fluoroindol-2-one

C10H7ClFNO — CID 142631364

IUPAC5-(2-chloroethyl)-6-fluoroindol-2-one
SMILESO=C1C=c2cc(CCCl)c(F)cc2=N1
InChIInChI=1S/C10H7ClFNO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3-5H,1-2H2
InChIKeyPNNZGQFDKSRNOX-UHFFFAOYSA-N
MW211.62 g/mol
LogP0.55
Rot. Bonds2

About 5-(2-chloroethyl)-6-fluoroindol-2-one

5-(2-chloroethyl)-6-fluoroindol-2-one (PubChem CID 142631364) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 5-(2-chloroethyl)-6-fluoroindol-2-one.

Molecular Properties

Compound Name5-(2-chloroethyl)-6-fluoroindol-2-one
PubChem CID142631364
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name5-(2-chloroethyl)-6-fluoroindol-2-one
SMILESO=C1C=c2cc(CCCl)c(F)cc2=N1
InChIInChI=1S/C10H7ClFNO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3-5H,1-2H2
InChIKeyPNNZGQFDKSRNOX-UHFFFAOYSA-N
XLogP0.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fluoro-indolone
CID 54356889
5-Chloroindole-2-one
CID 20284810
6-Chloroindole-2-one
CID 46739848
6-(Fluoromethyl)indol-2-one
CID 20284781
6-Fluoroindol-2-one
CID 45108281
5-Fluoro-2-oxo-indole
CID 46739847
4-Fluoro-2H-indol-2-one
CID 46739859
3-Chloro-5-fluoroindol-2-one
CID 141758677
3-Chloro-4-fluoroindol-2-one
CID 141758682
5-(2-Chloroethyl)-7-fluoroindol-2-one
CID 142631353
5-(4-Chlorobutyl)-7-fluoroindol-2-one
CID 142631356
5-(2-Chloroacetyl)-6-fluoroindol-2-one
CID 142631366

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-6-fluoroindol-2-one?
The IUPAC name of 5-(2-chloroethyl)-6-fluoroindol-2-one (CID 142631364) is 5-(2-chloroethyl)-6-fluoroindol-2-one.
What is the SMILES notation for 5-(2-chloroethyl)-6-fluoroindol-2-one?
The canonical SMILES for 5-(2-chloroethyl)-6-fluoroindol-2-one is O=C1C=c2cc(CCCl)c(F)cc2=N1.
What is the InChIKey of 5-(2-chloroethyl)-6-fluoroindol-2-one?
The InChIKey is PNNZGQFDKSRNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3-5H,1-2H2.
What are the key properties of 5-(2-chloroethyl)-6-fluoroindol-2-one?
5-(2-chloroethyl)-6-fluoroindol-2-one has a molecular weight of 211.62 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-6-fluoroindol-2-one is sourced from PubChem (CID 142631364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).