2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline

C23H16F7NO — CID 10072699

IUPAC2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc(C2CC(c3ccccc3)c3cc(OC(F)(F)F)ccc3N2)c(C(F)(F)F)c1
InChIInChI=1S/C23H16F7NO/c24-14-6-8-16(19(10-14)22(25,26)27)21-12-17(13-4-2-1-3-5-13)18-11-15(32-23(28,29)30)7-9-20(18)31-21/h1-11,17,21,31H,12H2
InChIKeyKLHLPNCUHXOBPI-UHFFFAOYSA-N
MW455.37 g/mol
LogP7.43
Rot. Bonds3

About 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline

2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 10072699) has the molecular formula C23H16F7NO and a molecular weight of 455.37 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID10072699
Molecular FormulaC23H16F7NO
Molecular Weight455.37 g/mol
Exact Mass455.11
IUPAC Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc(C2CC(c3ccccc3)c3cc(OC(F)(F)F)ccc3N2)c(C(F)(F)F)c1
InChIInChI=1S/C23H16F7NO/c24-14-6-8-16(19(10-14)22(25,26)27)21-12-17(13-4-2-1-3-5-13)18-11-15(32-23(28,29)30)7-9-20(18)31-21/h1-11,17,21,31H,12H2
InChIKeyKLHLPNCUHXOBPI-UHFFFAOYSA-N
XLogP7.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.37
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline (CID 10072699) is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline is Fc1ccc(C2CC(c3ccccc3)c3cc(OC(F)(F)F)ccc3N2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is KLHLPNCUHXOBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F7NO/c24-14-6-8-16(19(10-14)22(25,26)27)21-12-17(13-4-2-1-3-5-13)18-11-15(32-23(28,29)30)7-9-20(18)31-21/h1-11,17,21,31H,12H2.
What are the key properties of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline?
2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 455.37 g/mol, XLogP of 7.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4-phenyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 10072699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).