8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one

C10H5BrF3NO — CID 2821877

IUPAC8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(Br)cccc12
InChIInChI=1S/C10H5BrF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
InChIKeyWVDMDQACCBVSTK-UHFFFAOYSA-N
MW292.05 g/mol
LogP3.31
Rot. Bonds

About 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one

8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 2821877) has the molecular formula C10H5BrF3NO and a molecular weight of 292.05 g/mol. Its IUPAC name is 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID2821877
Molecular FormulaC10H5BrF3NO
Molecular Weight292.05 g/mol
Exact Mass290.95
IUPAC Name8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(Br)cccc12
InChIInChI=1S/C10H5BrF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
InChIKeyWVDMDQACCBVSTK-UHFFFAOYSA-N
XLogP3.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one (CID 2821877) is 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one is O=c1cc(C(F)(F)F)[nH]c2c(Br)cccc12.
What is the InChIKey of 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is WVDMDQACCBVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16).
What are the key properties of 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one?
8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 292.05 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 2821877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).