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

C24H16F5NO — CID 162673274

IUPAC2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(O)C(F)(F)F
InChIInChI=1S/C24H16F5NO/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/h2-12,23,31H,1H3
InChIKeyUVFHDFNBPPRGEG-UHFFFAOYSA-N
MW429.39 g/mol
LogP6.75
Rot. Bonds3

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

2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol (PubChem CID 162673274) has the molecular formula C24H16F5NO and a molecular weight of 429.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol
PubChem CID162673274
Molecular FormulaC24H16F5NO
Molecular Weight429.39 g/mol
Exact Mass429.12
IUPAC Name2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(O)C(F)(F)F
InChIInChI=1S/C24H16F5NO/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/h2-12,23,31H,1H3
InChIKeyUVFHDFNBPPRGEG-UHFFFAOYSA-N
XLogP6.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.39
LogP ≤ 56.75
H-Bond Donors ≤ 51
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]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol (CID 162673274) is 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol 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]ethanol?
The InChIKey is UVFHDFNBPPRGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F5NO/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/h2-12,23,31H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol?
2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol has a molecular weight of 429.39 g/mol, XLogP of 6.75, 3 rotatable bonds, 1 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]ethanol is sourced from PubChem (CID 162673274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).