4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline

C23H15F4NO — CID 66914046

IUPAC4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
SMILESFc1cccc(COc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C23H15F4NO/c24-17-6-1-4-15(12-17)14-29-18-7-2-5-16(13-18)19-10-11-28-22-20(19)8-3-9-21(22)23(25,26)27/h1-13H,14H2
InChIKeyKNLKEQAHCPVGDW-UHFFFAOYSA-N
MW397.37 g/mol
LogP6.64
Rot. Bonds4

About 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline

4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline (PubChem CID 66914046) has the molecular formula C23H15F4NO and a molecular weight of 397.37 g/mol. Its IUPAC name is 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
PubChem CID66914046
Molecular FormulaC23H15F4NO
Molecular Weight397.37 g/mol
Exact Mass397.11
IUPAC Name4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
SMILESFc1cccc(COc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C23H15F4NO/c24-17-6-1-4-15(12-17)14-29-18-7-2-5-16(13-18)19-10-11-28-22-20(19)8-3-9-21(22)23(25,26)27/h1-13H,14H2
InChIKeyKNLKEQAHCPVGDW-UHFFFAOYSA-N
XLogP6.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.37
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline (CID 66914046) is 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline is Fc1cccc(COc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1.
What is the InChIKey of 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline?
The InChIKey is KNLKEQAHCPVGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4NO/c24-17-6-1-4-15(12-17)14-29-18-7-2-5-16(13-18)19-10-11-28-22-20(19)8-3-9-21(22)23(25,26)27/h1-13H,14H2.
What are the key properties of 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline?
4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline has a molecular weight of 397.37 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66914046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).