2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone

C24H14F5NO — CID 162666710

IUPAC2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)C(F)(F)F
InChIInChI=1S/C24H14F5NO/c1-13-21(23(31)24(27,28)29)18-12-16(25)10-11-20(18)30-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)26/h2-12H,1H3
InChIKeyWEWSDZYNEXMELN-UHFFFAOYSA-N
MW427.37 g/mol
LogP6.90
Rot. Bonds3

About 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone

2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone (PubChem CID 162666710) has the molecular formula C24H14F5NO and a molecular weight of 427.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone
PubChem CID162666710
Molecular FormulaC24H14F5NO
Molecular Weight427.37 g/mol
Exact Mass427.10
IUPAC Name2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)C(F)(F)F
InChIInChI=1S/C24H14F5NO/c1-13-21(23(31)24(27,28)29)18-12-16(25)10-11-20(18)30-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)26/h2-12H,1H3
InChIKeyWEWSDZYNEXMELN-UHFFFAOYSA-N
XLogP6.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.37
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone (CID 162666710) is 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone is Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone?
The InChIKey is WEWSDZYNEXMELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F5NO/c1-13-21(23(31)24(27,28)29)18-12-16(25)10-11-20(18)30-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)26/h2-12H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone?
2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone has a molecular weight of 427.37 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanone is sourced from PubChem (CID 162666710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).