4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one

C10H10FNO — CID 122468506

IUPAC4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one
SMILESCC1C=c2c(F)c[nH]c(=O)c2=CC1
InChIInChI=1S/C10H10FNO/c1-6-2-3-7-8(4-6)9(11)5-12-10(7)13/h3-6H,2H2,1H3,(H,12,13)
InChIKeyKDFPBVNSMUFENQ-UHFFFAOYSA-N
MW179.19 g/mol
LogP0.11
Rot. Bonds

About 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one

4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one (PubChem CID 122468506) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one
PubChem CID122468506
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one
SMILESCC1C=c2c(F)c[nH]c(=O)c2=CC1
InChIInChI=1S/C10H10FNO/c1-6-2-3-7-8(4-6)9(11)5-12-10(7)13/h3-6H,2H2,1H3,(H,12,13)
InChIKeyKDFPBVNSMUFENQ-UHFFFAOYSA-N
XLogP0.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one (CID 122468506) is 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one is CC1C=c2c(F)c[nH]c(=O)c2=CC1.
What is the InChIKey of 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one?
The InChIKey is KDFPBVNSMUFENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6-2-3-7-8(4-6)9(11)5-12-10(7)13/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one?
4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one has a molecular weight of 179.19 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-6,7-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 122468506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).