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

C8H5ClFNO — CID 130064719

IUPAC6-chloro-4-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(F)cc(Cl)cc21
InChIInChI=1S/C8H5ClFNO/c9-4-1-5-6(7(10)2-4)3-11-8(5)12/h1-2H,3H2,(H,11,12)
InChIKeyTZLZNBHSERSHTF-UHFFFAOYSA-N
MW185.59 g/mol
LogP1.72
Rot. Bonds

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

6-chloro-4-fluoro-2,3-dihydroisoindol-1-one (PubChem CID 130064719) has the molecular formula C8H5ClFNO and a molecular weight of 185.59 g/mol. Its IUPAC name is 6-chloro-4-fluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-chloro-4-fluoro-2,3-dihydroisoindol-1-one
PubChem CID130064719
Molecular FormulaC8H5ClFNO
Molecular Weight185.59 g/mol
Exact Mass185.00
IUPAC Name6-chloro-4-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(F)cc(Cl)cc21
InChIInChI=1S/C8H5ClFNO/c9-4-1-5-6(7(10)2-4)3-11-8(5)12/h1-2H,3H2,(H,11,12)
InChIKeyTZLZNBHSERSHTF-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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Related Compounds

4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064723
4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one
CID 130064686
6-ethynyl-4-fluoro-2,3-dihydroisoindol-1-one
CID 178067212
6-azido-4-fluoro-2,3-dihydroisoindol-1-one
CID 169326285
7-chloro-3-oxo-1,2-dihydroisoindole-5-carbaldehyde
CID 172589120
6-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064721
(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)thiourea
CID 169359243
6-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-2,3-dihydroisoindol-1-one
CID 168640025
4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
CID 172769018
5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde
CID 169335304
6-(2,4-dichlorophenyl)-4-methyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 76847484
3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 76848612

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-chloro-4-fluoro-2,3-dihydroisoindol-1-one (CID 130064719) is 6-chloro-4-fluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-chloro-4-fluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-chloro-4-fluoro-2,3-dihydroisoindol-1-one is O=C1NCc2c(F)cc(Cl)cc21.
What is the InChIKey of 6-chloro-4-fluoro-2,3-dihydroisoindol-1-one?
The InChIKey is TZLZNBHSERSHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO/c9-4-1-5-6(7(10)2-4)3-11-8(5)12/h1-2H,3H2,(H,11,12).
What are the key properties of 6-chloro-4-fluoro-2,3-dihydroisoindol-1-one?
6-chloro-4-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-4-fluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130064719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).