6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one

C10H11F2NO — CID 164581931

IUPAC6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one
SMILESCC1c2c([nH]ccc2=O)CCC1(F)F
InChIInChI=1S/C10H11F2NO/c1-6-9-7(2-4-10(6,11)12)13-5-3-8(9)14/h3,5-6H,2,4H2,1H3,(H,13,14)
InChIKeyYWKXKAIZNJKESA-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.06
Rot. Bonds

About 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one

6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one (PubChem CID 164581931) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one
PubChem CID164581931
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one
SMILESCC1c2c([nH]ccc2=O)CCC1(F)F
InChIInChI=1S/C10H11F2NO/c1-6-9-7(2-4-10(6,11)12)13-5-3-8(9)14/h3,5-6H,2,4H2,1H3,(H,13,14)
InChIKeyYWKXKAIZNJKESA-UHFFFAOYSA-N
XLogP2.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one?
The IUPAC name of 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one (CID 164581931) is 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one.
What is the SMILES notation for 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one?
The canonical SMILES for 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one is CC1c2c([nH]ccc2=O)CCC1(F)F.
What is the InChIKey of 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one?
The InChIKey is YWKXKAIZNJKESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-6-9-7(2-4-10(6,11)12)13-5-3-8(9)14/h3,5-6H,2,4H2,1H3,(H,13,14).
What are the key properties of 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one?
6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one has a molecular weight of 199.20 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one is sourced from PubChem (CID 164581931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).