8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one

C10H5F4NO — CID 71650473

IUPAC8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one
SMILESO=C1C=CN=C2C(F)=CC(C(F)(F)F)C=C12
InChIInChI=1S/C10H5F4NO/c11-7-4-5(10(12,13)14)3-6-8(16)1-2-15-9(6)7/h1-5H
InChIKeyUPGNXWAVWBCKTB-UHFFFAOYSA-N
MW231.15 g/mol
LogP2.50
Rot. Bonds

About 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one

8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one (PubChem CID 71650473) has the molecular formula C10H5F4NO and a molecular weight of 231.15 g/mol. Its IUPAC name is 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one
PubChem CID71650473
Molecular FormulaC10H5F4NO
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one
SMILESO=C1C=CN=C2C(F)=CC(C(F)(F)F)C=C12
InChIInChI=1S/C10H5F4NO/c11-7-4-5(10(12,13)14)3-6-8(16)1-2-15-9(6)7/h1-5H
InChIKeyUPGNXWAVWBCKTB-UHFFFAOYSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoro-8-methylidenequinolin-4-one
CID 71304041
8-fluoro-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 71304096
6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one
CID 71650444
2-methyl-6-(trifluoromethyl)-6H-quinolin-4-one
CID 73358285
6-fluoro-6H-quinolin-4-one
CID 76538849
5,7-bis(trifluoromethyl)-4aH-quinolin-4-one
CID 77620941
6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one
CID 78177548
Quinolin-4(6H)-one
CID 45079446
Quinoline-4,6-dione
CID 66916701

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one?
The IUPAC name of 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one (CID 71650473) is 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one?
The canonical SMILES for 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one is O=C1C=CN=C2C(F)=CC(C(F)(F)F)C=C12.
What is the InChIKey of 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one?
The InChIKey is UPGNXWAVWBCKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO/c11-7-4-5(10(12,13)14)3-6-8(16)1-2-15-9(6)7/h1-5H.
What are the key properties of 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one?
8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one has a molecular weight of 231.15 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one is sourced from PubChem (CID 71650473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).