8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one

C10H5BrF3NO — CID 107628086

IUPAC8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one
SMILESO=c1cc(C(F)F)[nH]c2c(Br)ccc(F)c12
InChIInChI=1S/C10H5BrF3NO/c11-4-1-2-5(12)8-7(16)3-6(10(13)14)15-9(4)8/h1-3,10H,(H,15,16)
InChIKeyBFZMILCLTFOSBU-UHFFFAOYSA-N
MW292.05 g/mol
LogP3.37
Rot. Bonds1

About 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one

8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one (PubChem CID 107628086) has the molecular formula C10H5BrF3NO and a molecular weight of 292.05 g/mol. Its IUPAC name is 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one
PubChem CID107628086
Molecular FormulaC10H5BrF3NO
Molecular Weight292.05 g/mol
Exact Mass290.95
IUPAC Name8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one
SMILESO=c1cc(C(F)F)[nH]c2c(Br)ccc(F)c12
InChIInChI=1S/C10H5BrF3NO/c11-4-1-2-5(12)8-7(16)3-6(10(13)14)15-9(4)8/h1-3,10H,(H,15,16)
InChIKeyBFZMILCLTFOSBU-UHFFFAOYSA-N
XLogP3.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 107628076
6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one
CID 103416536
8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
CID 107628096
2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
CID 55127526
2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 119002782
2-cyclopropyl-5,8-difluoro-1H-quinolin-4-one
CID 63357690
5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one
CID 107593527
4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 107628071
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
CID 62891407
3-bromo-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
CID 130110150
2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
CID 62892262
2-[2-bromo-6-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130110321

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one?
The IUPAC name of 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one (CID 107628086) is 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one?
The canonical SMILES for 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one is O=c1cc(C(F)F)[nH]c2c(Br)ccc(F)c12.
What is the InChIKey of 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one?
The InChIKey is BFZMILCLTFOSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO/c11-4-1-2-5(12)8-7(16)3-6(10(13)14)15-9(4)8/h1-3,10H,(H,15,16).
What are the key properties of 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one?
8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one has a molecular weight of 292.05 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 107628086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).