5,8-difluoro-4aH-quinolin-2-one

C9H5F2NO — CID 73415018

IUPAC5,8-difluoro-4aH-quinolin-2-one
SMILESO=C1C=CC2C(F)=CC=C(F)C2=N1
InChIInChI=1S/C9H5F2NO/c10-6-2-3-7(11)9-5(6)1-4-8(13)12-9/h1-5H
InChIKeyPHJQCFNNXAYZNM-UHFFFAOYSA-N
MW181.14 g/mol
LogP1.86
Rot. Bonds

About 5,8-difluoro-4aH-quinolin-2-one

5,8-difluoro-4aH-quinolin-2-one (PubChem CID 73415018) has the molecular formula C9H5F2NO and a molecular weight of 181.14 g/mol. Its IUPAC name is 5,8-difluoro-4aH-quinolin-2-one.

Molecular Properties

Compound Name5,8-difluoro-4aH-quinolin-2-one
PubChem CID73415018
Molecular FormulaC9H5F2NO
Molecular Weight181.14 g/mol
Exact Mass181.03
IUPAC Name5,8-difluoro-4aH-quinolin-2-one
SMILESO=C1C=CC2C(F)=CC=C(F)C2=N1
InChIInChI=1S/C9H5F2NO/c10-6-2-3-7(11)9-5(6)1-4-8(13)12-9/h1-5H
InChIKeyPHJQCFNNXAYZNM-UHFFFAOYSA-N
XLogP1.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Difluoro-1-benzazepin-2-one
CID 19706833
6-(Trifluoromethyl)-1-benzazepin-2-one
CID 19838419
3-(Trifluoromethyl)-1-benzazepin-2-one
CID 21645863
3-Fluoro-1-benzazepin-2-one
CID 87395462
7-(Trifluoromethyl)-1-benzazepin-2-one
CID 153881845
4,5-Difluoro-3-methylidenequinolin-2-one
CID 174791263
6-fluoro-6H-quinolin-2-one
CID 71303965
8-fluoro-4aH-quinolin-2-one
CID 71304098
6-fluoro-4aH-quinolin-2-one
CID 71650447
8-fluoro-8H-quinolin-2-one
CID 71650474
8-bromo-7-fluoro-4aH-quinolin-2-one
CID 72540584
6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73083461

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-4aH-quinolin-2-one?
The IUPAC name of 5,8-difluoro-4aH-quinolin-2-one (CID 73415018) is 5,8-difluoro-4aH-quinolin-2-one.
What is the SMILES notation for 5,8-difluoro-4aH-quinolin-2-one?
The canonical SMILES for 5,8-difluoro-4aH-quinolin-2-one is O=C1C=CC2C(F)=CC=C(F)C2=N1.
What is the InChIKey of 5,8-difluoro-4aH-quinolin-2-one?
The InChIKey is PHJQCFNNXAYZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO/c10-6-2-3-7(11)9-5(6)1-4-8(13)12-9/h1-5H.
What are the key properties of 5,8-difluoro-4aH-quinolin-2-one?
5,8-difluoro-4aH-quinolin-2-one has a molecular weight of 181.14 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-4aH-quinolin-2-one is sourced from PubChem (CID 73415018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).