2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one

C10H5F2NO3 — CID 22250275

IUPAC2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
SMILESO=c1[nH]ccc2cc3c(cc12)OC(F)(F)O3
InChIInChI=1S/C10H5F2NO3/c11-10(12)15-7-3-5-1-2-13-9(14)6(5)4-8(7)16-10/h1-4H,(H,13,14)
InChIKeyIFUZQWLNWYCGRT-UHFFFAOYSA-N
MW225.15 g/mol
LogP1.85
Rot. Bonds

About 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one

2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one (PubChem CID 22250275) has the molecular formula C10H5F2NO3 and a molecular weight of 225.15 g/mol. Its IUPAC name is 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one.

Molecular Properties

Compound Name2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
PubChem CID22250275
Molecular FormulaC10H5F2NO3
Molecular Weight225.15 g/mol
Exact Mass225.02
IUPAC Name2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
SMILESO=c1[nH]ccc2cc3c(cc12)OC(F)(F)O3
InChIInChI=1S/C10H5F2NO3/c11-10(12)15-7-3-5-1-2-13-9(14)6(5)4-8(7)16-10/h1-4H,(H,13,14)
InChIKeyIFUZQWLNWYCGRT-UHFFFAOYSA-N
XLogP1.85
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 176689095
CID 176689095
ethane;6-methyl-2H-isoquinolin-1-one
CID 142940504
7-chloro-6-(fluoroamino)-2H-isoquinolin-1-one
CID 138529047
6,7-bis(hydroxymethyl)-2H-isoquinolin-1-one
CID 71215768
6-amino-7-bromo-2H-isoquinolin-1-one
CID 59756577
6-(dimethylamino)-2H-isoquinolin-1-one
CID 57424142
7-fluoro-6-[5-(trifluoromethyl)pyrimidin-2-yl]-2H-isoquinolin-1-one
CID 169118744
(1-oxo-2H-isoquinolin-6-yl)boronic acid
CID 77230319
1-oxo-2H-isoquinoline-6-carboxylic acid
CID 58252554
7-propan-2-yl-2H-isoquinolin-1-one
CID 59592854
6-propan-2-yl-2H-isoquinolin-1-one
CID 59592914
6-(aminomethyl)-2H-isoquinolin-1-one
CID 97289952

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
The IUPAC name of 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one (CID 22250275) is 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one.
What is the SMILES notation for 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
The canonical SMILES for 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one is O=c1[nH]ccc2cc3c(cc12)OC(F)(F)O3.
What is the InChIKey of 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
The InChIKey is IFUZQWLNWYCGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3/c11-10(12)15-7-3-5-1-2-13-9(14)6(5)4-8(7)16-10/h1-4H,(H,13,14).
What are the key properties of 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one has a molecular weight of 225.15 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one is sourced from PubChem (CID 22250275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).