(7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline

C25H22F5NO — CID 71131740

IUPAC(7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline
SMILESC[C@H](O[C@H]1CCc2cccnc2[C@@H]1c1ccc(F)cc1)c1cc(CF)cc(C(F)(F)F)c1
InChIInChI=1S/C25H22F5NO/c1-15(19-11-16(14-26)12-20(13-19)25(28,29)30)32-22-9-6-18-3-2-10-31-24(18)23(22)17-4-7-21(27)8-5-17/h2-5,7-8,10-13,15,22-23H,6,9,14H2,1H3/t15-,22-,23+/m0/s1
InChIKeyJHQFOGPDILQWPY-UQDCGMOVSA-N
MW447.45 g/mol
LogP6.93
Rot. Bonds5

About (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline

(7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 71131740) has the molecular formula C25H22F5NO and a molecular weight of 447.45 g/mol. Its IUPAC name is (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline
PubChem CID71131740
Molecular FormulaC25H22F5NO
Molecular Weight447.45 g/mol
Exact Mass447.16
IUPAC Name(7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline
SMILESC[C@H](O[C@H]1CCc2cccnc2[C@@H]1c1ccc(F)cc1)c1cc(CF)cc(C(F)(F)F)c1
InChIInChI=1S/C25H22F5NO/c1-15(19-11-16(14-26)12-20(13-19)25(28,29)30)32-22-9-6-18-3-2-10-31-24(18)23(22)17-4-7-21(27)8-5-17/h2-5,7-8,10-13,15,22-23H,6,9,14H2,1H3/t15-,22-,23+/m0/s1
InChIKeyJHQFOGPDILQWPY-UQDCGMOVSA-N
XLogP6.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline (CID 71131740) is (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline is C[C@H](O[C@H]1CCc2cccnc2[C@@H]1c1ccc(F)cc1)c1cc(CF)cc(C(F)(F)F)c1.
What is the InChIKey of (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is JHQFOGPDILQWPY-UQDCGMOVSA-N. The full InChI is InChI=1S/C25H22F5NO/c1-15(19-11-16(14-26)12-20(13-19)25(28,29)30)32-22-9-6-18-3-2-10-31-24(18)23(22)17-4-7-21(27)8-5-17/h2-5,7-8,10-13,15,22-23H,6,9,14H2,1H3/t15-,22-,23+/m0/s1.
What are the key properties of (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline?
(7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 447.45 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 71131740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).