4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline

C23H14F5NO3S — CID 68876326

IUPAC4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
SMILESCS(=O)(=O)c1cc(F)cc(Oc2ccc(F)c(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C23H14F5NO3S/c1-33(30,31)16-10-13(24)9-15(11-16)32-14-5-6-21(25)19(12-14)17-7-8-29-22-18(17)3-2-4-20(22)23(26,27)28/h2-12H,1H3
InChIKeyKJDBYCCFGBODBD-UHFFFAOYSA-N
MW479.43 g/mol
LogP6.39
Rot. Bonds4

About 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline

4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline (PubChem CID 68876326) has the molecular formula C23H14F5NO3S and a molecular weight of 479.43 g/mol. Its IUPAC name is 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
PubChem CID68876326
Molecular FormulaC23H14F5NO3S
Molecular Weight479.43 g/mol
Exact Mass479.06
IUPAC Name4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
SMILESCS(=O)(=O)c1cc(F)cc(Oc2ccc(F)c(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C23H14F5NO3S/c1-33(30,31)16-10-13(24)9-15(11-16)32-14-5-6-21(25)19(12-14)17-7-8-29-22-18(17)3-2-4-20(22)23(26,27)28/h2-12H,1H3
InChIKeyKJDBYCCFGBODBD-UHFFFAOYSA-N
XLogP6.39
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.43
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-fluoro-5-(4-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 68876323
4-[5-(3-chloro-5-methylsulfonylphenoxy)-2-fluorophenyl]-8-methoxyquinoline
CID 68878270
4-[2-methyl-5-(4-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 68877282
4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 25101685
8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline
CID 25261487
4-[4-(3-methylsulfonylphenyl)-2-pyridinyl]-8-(trifluoromethyl)quinoline
CID 68877332
[4-fluoro-3-(8-methoxyquinolin-4-yl)phenyl] trifluoromethanesulfonate
CID 87610751
4-[3-(4-fluoro-3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 46887891
8-chloro-4-[5-(3-ethylsulfonyl-5-fluorophenoxy)-2-fluorophenyl]quinazoline
CID 25260843
N-[3-[3-[4-fluoro-3-[8-(trifluoromethyl)quinazolin-4-yl]phenoxy]phenyl]sulfonylpropyl]methanesulfonamide
CID 46213262
3-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 25100150
[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl] 3-methylsulfonylbenzoate
CID 56597856

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline (CID 68876326) is 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline is CS(=O)(=O)c1cc(F)cc(Oc2ccc(F)c(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1.
What is the InChIKey of 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline?
The InChIKey is KJDBYCCFGBODBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F5NO3S/c1-33(30,31)16-10-13(24)9-15(11-16)32-14-5-6-21(25)19(12-14)17-7-8-29-22-18(17)3-2-4-20(22)23(26,27)28/h2-12H,1H3.
What are the key properties of 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline?
4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline has a molecular weight of 479.43 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 68876326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).