8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one

C10H5F4NO — CID 115063130

IUPAC8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(C(F)(F)F)c2cccc(F)c12
InChIInChI=1S/C10H5F4NO/c11-7-3-1-2-5-6(10(12,13)14)4-15-9(16)8(5)7/h1-4H,(H,15,16)
InChIKeyJNOZCUMFHOGNOJ-UHFFFAOYSA-N
MW231.15 g/mol
LogP2.69
Rot. Bonds

About 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one

8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one (PubChem CID 115063130) has the molecular formula C10H5F4NO and a molecular weight of 231.15 g/mol. Its IUPAC name is 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one
PubChem CID115063130
Molecular FormulaC10H5F4NO
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(C(F)(F)F)c2cccc(F)c12
InChIInChI=1S/C10H5F4NO/c11-7-3-1-2-5-6(10(12,13)14)4-15-9(16)8(5)7/h1-4H,(H,15,16)
InChIKeyJNOZCUMFHOGNOJ-UHFFFAOYSA-N
XLogP2.69
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloro-4-(trifluoromethyl)-2H-isoquinolin-1-one
CID 115063131
4-ethyl-5-fluoro-2H-isoquinolin-1-one
CID 115063173
8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063127
7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one
CID 115063117
4,8-difluoro-3-methyl-2H-isoquinolin-1-one
CID 175981431
4,8-difluoro-3-iodo-2H-isoquinolin-1-one
CID 170115692
3-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 130085417
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
5-fluoro-2H-isoquinolin-1-one
CID 22250167
3-[chloro-(7-fluoro-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-7-fluoro-1H-indole
CID 155772337
4-tert-butyl-5-chloro-2H-isoquinolin-1-one
CID 115063180
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
CID 102537545

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one?
The IUPAC name of 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one (CID 115063130) is 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one?
The canonical SMILES for 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one is O=c1[nH]cc(C(F)(F)F)c2cccc(F)c12.
What is the InChIKey of 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one?
The InChIKey is JNOZCUMFHOGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO/c11-7-3-1-2-5-6(10(12,13)14)4-15-9(16)8(5)7/h1-4H,(H,15,16).
What are the key properties of 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one?
8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one has a molecular weight of 231.15 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 115063130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).