6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one

C10H9F2NO — CID 22918293

IUPAC6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one
SMILESCN1CCC(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C10H9F2NO/c1-13-3-2-10(14)6-4-7(11)8(12)5-9(6)13/h4-5H,2-3H2,1H3
InChIKeyPZWPOGDUUUMAEI-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.99
Rot. Bonds

About 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one

6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one (PubChem CID 22918293) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one
PubChem CID22918293
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one
SMILESCN1CCC(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C10H9F2NO/c1-13-3-2-10(14)6-4-7(11)8(12)5-9(6)13/h4-5H,2-3H2,1H3
InChIKeyPZWPOGDUUUMAEI-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one (CID 22918293) is 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one is CN1CCC(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is PZWPOGDUUUMAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-13-3-2-10(14)6-4-7(11)8(12)5-9(6)13/h4-5H,2-3H2,1H3.
What are the key properties of 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one?
6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 197.18 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 22918293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).