6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one

C10H10FNO — CID 54126637

IUPAC6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(F)ccc2C1=O
InChIInChI=1S/C10H10FNO/c1-12-5-4-7-6-8(11)2-3-9(7)10(12)13/h2-3,6H,4-5H2,1H3
InChIKeyNRKLSBFOEQCVJT-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.45
Rot. Bonds

About 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one

6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 54126637) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID54126637
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(F)ccc2C1=O
InChIInChI=1S/C10H10FNO/c1-12-5-4-7-6-8(11)2-3-9(7)10(12)13/h2-3,6H,4-5H2,1H3
InChIKeyNRKLSBFOEQCVJT-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one (CID 54126637) is 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one is CN1CCc2cc(F)ccc2C1=O.
What is the InChIKey of 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is NRKLSBFOEQCVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-12-5-4-7-6-8(11)2-3-9(7)10(12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one?
6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 179.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 54126637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).