4,8-difluoro-3-methyl-2H-isoquinolin-1-one

C10H7F2NO — CID 175981431

IUPAC4,8-difluoro-3-methyl-2H-isoquinolin-1-one
SMILESCc1[nH]c(=O)c2c(F)cccc2c1F
InChIInChI=1S/C10H7F2NO/c1-5-9(12)6-3-2-4-7(11)8(6)10(14)13-5/h2-4H,1H3,(H,13,14)
InChIKeyRETFOLRLGWFMHM-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.11
Rot. Bonds

About 4,8-difluoro-3-methyl-2H-isoquinolin-1-one

4,8-difluoro-3-methyl-2H-isoquinolin-1-one (PubChem CID 175981431) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 4,8-difluoro-3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4,8-difluoro-3-methyl-2H-isoquinolin-1-one
PubChem CID175981431
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name4,8-difluoro-3-methyl-2H-isoquinolin-1-one
SMILESCc1[nH]c(=O)c2c(F)cccc2c1F
InChIInChI=1S/C10H7F2NO/c1-5-9(12)6-3-2-4-7(11)8(6)10(14)13-5/h2-4H,1H3,(H,13,14)
InChIKeyRETFOLRLGWFMHM-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 4,8-difluoro-3-methyl-2H-isoquinolin-1-one?
The IUPAC name of 4,8-difluoro-3-methyl-2H-isoquinolin-1-one (CID 175981431) is 4,8-difluoro-3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 4,8-difluoro-3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 4,8-difluoro-3-methyl-2H-isoquinolin-1-one is Cc1[nH]c(=O)c2c(F)cccc2c1F.
What is the InChIKey of 4,8-difluoro-3-methyl-2H-isoquinolin-1-one?
The InChIKey is RETFOLRLGWFMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c1-5-9(12)6-3-2-4-7(11)8(6)10(14)13-5/h2-4H,1H3,(H,13,14).
What are the key properties of 4,8-difluoro-3-methyl-2H-isoquinolin-1-one?
4,8-difluoro-3-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 4,8-difluoro-3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 175981431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).