1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone

C19H11F6NO — CID 16728098

IUPAC1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C19H11F6NO/c1-10(27)11-5-7-12(8-6-11)14-9-16(19(23,24)25)26-17-13(14)3-2-4-15(17)18(20,21)22/h2-9H,1H3
InChIKeyBBQKWYKFZMIBPR-UHFFFAOYSA-N
MW383.29 g/mol
LogP6.14
Rot. Bonds2

About 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone

1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone (PubChem CID 16728098) has the molecular formula C19H11F6NO and a molecular weight of 383.29 g/mol. Its IUPAC name is 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone
PubChem CID16728098
Molecular FormulaC19H11F6NO
Molecular Weight383.29 g/mol
Exact Mass383.07
IUPAC Name1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C19H11F6NO/c1-10(27)11-5-7-12(8-6-11)14-9-16(19(23,24)25)26-17-13(14)3-2-4-15(17)18(20,21)22/h2-9H,1H3
InChIKeyBBQKWYKFZMIBPR-UHFFFAOYSA-N
XLogP6.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoline Yellow
CID 6731
9-Acridinecarboxaldehyde
CID 98663
2-Benzoylquinoline
CID 727029
3-(2-Chloroquinolin-3-yl)-1-phenylprop-2-en-1-one
CID 6112225
6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
CID 154702659
4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline
CID 10024412
Phenyl[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 11360909
2-Methylquinoline-8-carboxamide
CID 21195867
2-Phenylquinoline-8-carboxamide
CID 44156952
2-Methylquinoline-4-carboxamide
CID 85122
2-Phenylquinoline-4-carboxamide
CID 185680
2-Methylacridine-9-carbaldehyde
CID 2724174

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone (CID 16728098) is 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone is CC(=O)c1ccc(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1.
What is the InChIKey of 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone?
The InChIKey is BBQKWYKFZMIBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6NO/c1-10(27)11-5-7-12(8-6-11)14-9-16(19(23,24)25)26-17-13(14)3-2-4-15(17)18(20,21)22/h2-9H,1H3.
What are the key properties of 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone?
1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone has a molecular weight of 383.29 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone is sourced from PubChem (CID 16728098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).