7,8-difluoro-4-methyl-2H-isoquinolin-1-one

C10H7F2NO — CID 46864114

IUPAC7,8-difluoro-4-methyl-2H-isoquinolin-1-one
SMILESCc1c[nH]c(=O)c2c(F)c(F)ccc12
InChIInChI=1S/C10H7F2NO/c1-5-4-13-10(14)8-6(5)2-3-7(11)9(8)12/h2-4H,1H3,(H,13,14)
InChIKeyQBKPTVJYTLLGMX-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.11
Rot. Bonds

About 7,8-difluoro-4-methyl-2H-isoquinolin-1-one

7,8-difluoro-4-methyl-2H-isoquinolin-1-one (PubChem CID 46864114) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 7,8-difluoro-4-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7,8-difluoro-4-methyl-2H-isoquinolin-1-one
PubChem CID46864114
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name7,8-difluoro-4-methyl-2H-isoquinolin-1-one
SMILESCc1c[nH]c(=O)c2c(F)c(F)ccc12
InChIInChI=1S/C10H7F2NO/c1-5-4-13-10(14)8-6(5)2-3-7(11)9(8)12/h2-4H,1H3,(H,13,14)
InChIKeyQBKPTVJYTLLGMX-UHFFFAOYSA-N
XLogP2.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-methyl-2H-isoquinolin-1-one?
The IUPAC name of 7,8-difluoro-4-methyl-2H-isoquinolin-1-one (CID 46864114) is 7,8-difluoro-4-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 7,8-difluoro-4-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 7,8-difluoro-4-methyl-2H-isoquinolin-1-one is Cc1c[nH]c(=O)c2c(F)c(F)ccc12.
What is the InChIKey of 7,8-difluoro-4-methyl-2H-isoquinolin-1-one?
The InChIKey is QBKPTVJYTLLGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c1-5-4-13-10(14)8-6(5)2-3-7(11)9(8)12/h2-4H,1H3,(H,13,14).
What are the key properties of 7,8-difluoro-4-methyl-2H-isoquinolin-1-one?
7,8-difluoro-4-methyl-2H-isoquinolin-1-one has a molecular weight of 195.17 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 46864114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).