2,2-difluoro-1-isoquinolin-8-ylethanone

C11H7F2NO — CID 103143371

IUPAC2,2-difluoro-1-isoquinolin-8-ylethanone
SMILESO=C(c1cccc2ccncc12)C(F)F
InChIInChI=1S/C11H7F2NO/c12-11(13)10(15)8-3-1-2-7-4-5-14-6-9(7)8/h1-6,11H
InChIKeyBORFAKXJMHYJKC-UHFFFAOYSA-N
MW207.18 g/mol
LogP2.68
Rot. Bonds2

About 2,2-difluoro-1-isoquinolin-8-ylethanone

2,2-difluoro-1-isoquinolin-8-ylethanone (PubChem CID 103143371) has the molecular formula C11H7F2NO and a molecular weight of 207.18 g/mol. Its IUPAC name is 2,2-difluoro-1-isoquinolin-8-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-isoquinolin-8-ylethanone
PubChem CID103143371
Molecular FormulaC11H7F2NO
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Name2,2-difluoro-1-isoquinolin-8-ylethanone
SMILESO=C(c1cccc2ccncc12)C(F)F
InChIInChI=1S/C11H7F2NO/c12-11(13)10(15)8-3-1-2-7-4-5-14-6-9(7)8/h1-6,11H
InChIKeyBORFAKXJMHYJKC-UHFFFAOYSA-N
XLogP2.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinoline-8-carboxylate
CID 86306452
2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone
CID 103458218
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one
CID 103133119
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
(2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103134021
isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
cyclohexyl(isoquinolin-8-yl)methanone
CID 103134088
isoquinolin-8-yl(thiophen-2-yl)methanone
CID 103133963
[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
CID 103132930
2-tert-butylsulfanyl-1-isoquinolin-8-ylethanone
CID 103143300

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-isoquinolin-8-ylethanone?
The IUPAC name of 2,2-difluoro-1-isoquinolin-8-ylethanone (CID 103143371) is 2,2-difluoro-1-isoquinolin-8-ylethanone.
What is the SMILES notation for 2,2-difluoro-1-isoquinolin-8-ylethanone?
The canonical SMILES for 2,2-difluoro-1-isoquinolin-8-ylethanone is O=C(c1cccc2ccncc12)C(F)F.
What is the InChIKey of 2,2-difluoro-1-isoquinolin-8-ylethanone?
The InChIKey is BORFAKXJMHYJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO/c12-11(13)10(15)8-3-1-2-7-4-5-14-6-9(7)8/h1-6,11H.
What are the key properties of 2,2-difluoro-1-isoquinolin-8-ylethanone?
2,2-difluoro-1-isoquinolin-8-ylethanone has a molecular weight of 207.18 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-isoquinolin-8-ylethanone is sourced from PubChem (CID 103143371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).