(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C17H16F3NO — CID 102598226

IUPAC(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc([C@@H]2CCc3cc(C(F)(F)F)ccc3N2)cc1
InChIInChI=1S/C17H16F3NO/c1-22-14-6-2-11(3-7-14)15-8-4-12-10-13(17(18,19)20)5-9-16(12)21-15/h2-3,5-7,9-10,15,21H,4,8H2,1H3/t15-/m0/s1
InChIKeyCITVXLNHUFLGGY-HNNXBMFYSA-N
MW307.32 g/mol
LogP4.81
Rot. Bonds2

About (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 102598226) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID102598226
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc([C@@H]2CCc3cc(C(F)(F)F)ccc3N2)cc1
InChIInChI=1S/C17H16F3NO/c1-22-14-6-2-11(3-7-14)15-8-4-12-10-13(17(18,19)20)5-9-16(12)21-15/h2-3,5-7,9-10,15,21H,4,8H2,1H3/t15-/m0/s1
InChIKeyCITVXLNHUFLGGY-HNNXBMFYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 102598226) is (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is COc1ccc([C@@H]2CCc3cc(C(F)(F)F)ccc3N2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is CITVXLNHUFLGGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-22-14-6-2-11(3-7-14)15-8-4-12-10-13(17(18,19)20)5-9-16(12)21-15/h2-3,5-7,9-10,15,21H,4,8H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 307.32 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 102598226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).