(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline

C11H12F3NO — CID 154608482

IUPAC(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline
SMILESC[C@H]1CCCc2cc(OC(F)(F)F)cnc21
InChIInChI=1S/C11H12F3NO/c1-7-3-2-4-8-5-9(6-15-10(7)8)16-11(12,13)14/h5-7H,2-4H2,1H3/t7-/m0/s1
InChIKeyJHRWKRYLCONBMW-ZETCQYMHSA-N
MW231.22 g/mol
LogP3.42
Rot. Bonds1

About (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline

(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 154608482) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID154608482
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline
SMILESC[C@H]1CCCc2cc(OC(F)(F)F)cnc21
InChIInChI=1S/C11H12F3NO/c1-7-3-2-4-8-5-9(6-15-10(7)8)16-11(12,13)14/h5-7H,2-4H2,1H3/t7-/m0/s1
InChIKeyJHRWKRYLCONBMW-ZETCQYMHSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline (CID 154608482) is (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline is C[C@H]1CCCc2cc(OC(F)(F)F)cnc21.
What is the InChIKey of (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is JHRWKRYLCONBMW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7-3-2-4-8-5-9(6-15-10(7)8)16-11(12,13)14/h5-7H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline?
(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 231.22 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 154608482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).