3-[4-(trifluoromethyl)phenyl]-4H-quinolizine

C16H12F3N — CID 135062793

IUPAC3-[4-(trifluoromethyl)phenyl]-4H-quinolizine
SMILESFC(F)(F)c1ccc(C2=CC=C3C=CC=CN3C2)cc1
InChIInChI=1S/C16H12F3N/c17-16(18,19)14-7-4-12(5-8-14)13-6-9-15-3-1-2-10-20(15)11-13/h1-10H,11H2
InChIKeyOXPVHUBHTZMZDF-UHFFFAOYSA-N
MW275.27 g/mol
LogP4.37
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine

3-[4-(trifluoromethyl)phenyl]-4H-quinolizine (PubChem CID 135062793) has the molecular formula C16H12F3N and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-4H-quinolizine
PubChem CID135062793
Molecular FormulaC16H12F3N
Molecular Weight275.27 g/mol
Exact Mass275.09
IUPAC Name3-[4-(trifluoromethyl)phenyl]-4H-quinolizine
SMILESFC(F)(F)c1ccc(C2=CC=C3C=CC=CN3C2)cc1
InChIInChI=1S/C16H12F3N/c17-16(18,19)14-7-4-12(5-8-14)13-6-9-15-3-1-2-10-20(15)11-13/h1-10H,11H2
InChIKeyOXPVHUBHTZMZDF-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine
CID 175930741
4H-quinolizine-3-carboxamide
CID 18755300
(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397618
3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol
CID 107383582
N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2314330
trimethyl-[4-[2,4,6-tris[4-(trifluoromethyl)phenyl]-3,5-bis(4-trimethylsilylphenyl)phenyl]phenyl]silane
CID 102366685
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1,2,3,4,5-pentachloro-6-[4-(trifluoromethyl)phenyl]benzene
CID 118809445
1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine
CID 68900487
(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397812
1-(2-fluorocyclopenten-1-yl)-4-(trifluoromethyl)benzene
CID 11206961
1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 119000485

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine (CID 135062793) is 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine is FC(F)(F)c1ccc(C2=CC=C3C=CC=CN3C2)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine?
The InChIKey is OXPVHUBHTZMZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N/c17-16(18,19)14-7-4-12(5-8-14)13-6-9-15-3-1-2-10-20(15)11-13/h1-10H,11H2.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine?
3-[4-(trifluoromethyl)phenyl]-4H-quinolizine has a molecular weight of 275.27 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-4H-quinolizine is sourced from PubChem (CID 135062793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).