6-chloro-5-fluoro-2,3-dihydroisoindol-1-one

C8H5ClFNO — CID 130064721

IUPAC6-chloro-5-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(F)c(Cl)cc21
InChIInChI=1S/C8H5ClFNO/c9-6-2-5-4(1-7(6)10)3-11-8(5)12/h1-2H,3H2,(H,11,12)
InChIKeyGCZOJUFMMFWLRY-UHFFFAOYSA-N
MW185.59 g/mol
LogP1.72
Rot. Bonds

About 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one

6-chloro-5-fluoro-2,3-dihydroisoindol-1-one (PubChem CID 130064721) has the molecular formula C8H5ClFNO and a molecular weight of 185.59 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-chloro-5-fluoro-2,3-dihydroisoindol-1-one
PubChem CID130064721
Molecular FormulaC8H5ClFNO
Molecular Weight185.59 g/mol
Exact Mass185.00
IUPAC Name6-chloro-5-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(F)c(Cl)cc21
InChIInChI=1S/C8H5ClFNO/c9-6-2-5-4(1-7(6)10)3-11-8(5)12/h1-2H,3H2,(H,11,12)
InChIKeyGCZOJUFMMFWLRY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one (CID 130064721) is 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one is O=C1NCc2cc(F)c(Cl)cc21.
What is the InChIKey of 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one?
The InChIKey is GCZOJUFMMFWLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO/c9-6-2-5-4(1-7(6)10)3-11-8(5)12/h1-2H,3H2,(H,11,12).
What are the key properties of 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one?
6-chloro-5-fluoro-2,3-dihydroisoindol-1-one has a molecular weight of 185.59 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130064721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).