7-chloro-5-fluoroindol-2-one

C8H3ClFNO — CID 160921302

IUPAC7-chloro-5-fluoroindol-2-one
SMILESO=C1C=c2cc(F)cc(Cl)c2=N1
InChIInChI=1S/C8H3ClFNO/c9-6-3-5(10)1-4-2-7(12)11-8(4)6/h1-3H
InChIKeySSBJHIGYIRPHCD-UHFFFAOYSA-N
MW183.57 g/mol
LogP0.42
Rot. Bonds

About 7-chloro-5-fluoroindol-2-one

7-chloro-5-fluoroindol-2-one (PubChem CID 160921302) has the molecular formula C8H3ClFNO and a molecular weight of 183.57 g/mol. Its IUPAC name is 7-chloro-5-fluoroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-fluoroindol-2-one
PubChem CID160921302
Molecular FormulaC8H3ClFNO
Molecular Weight183.57 g/mol
Exact Mass182.99
IUPAC Name7-chloro-5-fluoroindol-2-one
SMILESO=C1C=c2cc(F)cc(Cl)c2=N1
InChIInChI=1S/C8H3ClFNO/c9-6-3-5(10)1-4-2-7(12)11-8(4)6/h1-3H
InChIKeySSBJHIGYIRPHCD-UHFFFAOYSA-N
XLogP0.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.57
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoroindol-2-one?
The IUPAC name of 7-chloro-5-fluoroindol-2-one (CID 160921302) is 7-chloro-5-fluoroindol-2-one.
What is the SMILES notation for 7-chloro-5-fluoroindol-2-one?
The canonical SMILES for 7-chloro-5-fluoroindol-2-one is O=C1C=c2cc(F)cc(Cl)c2=N1.
What is the InChIKey of 7-chloro-5-fluoroindol-2-one?
The InChIKey is SSBJHIGYIRPHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFNO/c9-6-3-5(10)1-4-2-7(12)11-8(4)6/h1-3H.
What are the key properties of 7-chloro-5-fluoroindol-2-one?
7-chloro-5-fluoroindol-2-one has a molecular weight of 183.57 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoroindol-2-one is sourced from PubChem (CID 160921302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).