8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine

C10H12F3N — CID 67020339

IUPAC8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
SMILESFC(F)(F)C1=CCN2CCCCC2=C1
InChIInChI=1S/C10H12F3N/c11-10(12,13)8-4-6-14-5-2-1-3-9(14)7-8/h4,7H,1-3,5-6H2
InChIKeyXRTATHRUTMHMHF-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.86
Rot. Bonds

About 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine

8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine (PubChem CID 67020339) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine.

Molecular Properties

Compound Name8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
PubChem CID67020339
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
SMILESFC(F)(F)C1=CCN2CCCCC2=C1
InChIInChI=1S/C10H12F3N/c11-10(12,13)8-4-6-14-5-2-1-3-9(14)7-8/h4,7H,1-3,5-6H2
InChIKeyXRTATHRUTMHMHF-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine?
The IUPAC name of 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine (CID 67020339) is 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine.
What is the SMILES notation for 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine?
The canonical SMILES for 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine is FC(F)(F)C1=CCN2CCCCC2=C1.
What is the InChIKey of 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine?
The InChIKey is XRTATHRUTMHMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c11-10(12,13)8-4-6-14-5-2-1-3-9(14)7-8/h4,7H,1-3,5-6H2.
What are the key properties of 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine?
8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine has a molecular weight of 203.21 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine is sourced from PubChem (CID 67020339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).