6-chloro-4-fluoro-1,3-dihydroindol-2-one

C8H5ClFNO — CID 66634278

IUPAC6-chloro-4-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(F)cc(Cl)cc2N1
InChIInChI=1S/C8H5ClFNO/c9-4-1-6(10)5-3-8(12)11-7(5)2-4/h1-2H,3H2,(H,11,12)
InChIKeyVLPCMBIVGZBXAP-UHFFFAOYSA-N
MW185.59 g/mol
LogP1.97
Rot. Bonds

About 6-chloro-4-fluoro-1,3-dihydroindol-2-one

6-chloro-4-fluoro-1,3-dihydroindol-2-one (PubChem CID 66634278) has the molecular formula C8H5ClFNO and a molecular weight of 185.59 g/mol. Its IUPAC name is 6-chloro-4-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-4-fluoro-1,3-dihydroindol-2-one
PubChem CID66634278
Molecular FormulaC8H5ClFNO
Molecular Weight185.59 g/mol
Exact Mass185.00
IUPAC Name6-chloro-4-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(F)cc(Cl)cc2N1
InChIInChI=1S/C8H5ClFNO/c9-4-1-6(10)5-3-8(12)11-7(5)2-4/h1-2H,3H2,(H,11,12)
InChIKeyVLPCMBIVGZBXAP-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-4-fluoro-1,3-dihydroindol-2-one (CID 66634278) is 6-chloro-4-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-4-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-4-fluoro-1,3-dihydroindol-2-one is O=C1Cc2c(F)cc(Cl)cc2N1.
What is the InChIKey of 6-chloro-4-fluoro-1,3-dihydroindol-2-one?
The InChIKey is VLPCMBIVGZBXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO/c9-4-1-6(10)5-3-8(12)11-7(5)2-4/h1-2H,3H2,(H,11,12).
What are the key properties of 6-chloro-4-fluoro-1,3-dihydroindol-2-one?
6-chloro-4-fluoro-1,3-dihydroindol-2-one has a molecular weight of 185.59 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 66634278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).