6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine

C20H19F6N — CID 162590365

IUPAC6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine
SMILESC=C1C2=C(C(F)(F)F)C=C(C(F)(F)F)CC2=C2C=CC=CN2C1(CC)CC
InChIInChI=1S/C20H19F6N/c1-4-18(5-2)12(3)17-14(16-8-6-7-9-27(16)18)10-13(19(21,22)23)11-15(17)20(24,25)26/h6-9,11H,3-5,10H2,1-2H3
InChIKeyXFWZVUNTDRFRFV-UHFFFAOYSA-N
MW387.37 g/mol
LogP6.51
Rot. Bonds2

About 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine

6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine (PubChem CID 162590365) has the molecular formula C20H19F6N and a molecular weight of 387.37 g/mol. Its IUPAC name is 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine.

Molecular Properties

Compound Name6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine
PubChem CID162590365
Molecular FormulaC20H19F6N
Molecular Weight387.37 g/mol
Exact Mass387.14
IUPAC Name6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine
SMILESC=C1C2=C(C(F)(F)F)C=C(C(F)(F)F)CC2=C2C=CC=CN2C1(CC)CC
InChIInChI=1S/C20H19F6N/c1-4-18(5-2)12(3)17-14(16-8-6-7-9-27(16)18)10-13(19(21,22)23)11-15(17)20(24,25)26/h6-9,11H,3-5,10H2,1-2H3
InChIKeyXFWZVUNTDRFRFV-UHFFFAOYSA-N
XLogP6.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.37
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-Methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)butyl]-5-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3a,4-dihydroindole
CID 134345660
4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline
CID 154967341
4-(3,5-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline
CID 166812470
11,11-Diethyl-14-fluoro-5-(trifluoromethyl)-7-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,12,14-pentaene
CID 162549812
7,7-Diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine
CID 162552090
6,6-Diethyl-8,10-bis(trifluoromethyl)-7,11-dihydrobenzo[a]quinolizine
CID 162569409
7-ethenyl-9,11-difluoro-2,6,6,7-tetramethyl-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine
CID 162574829
3,16-Diethyl-16-methyl-12-(trifluoromethyl)-4-azapentacyclo[8.6.1.01,3.04,9.014,17]heptadeca-5,7,9,12,14(17)-pentaene
CID 162580074
9-Methylidene-1-propyl-7,7-bis(trifluoromethyl)-5,8-dihydrobenzo[de]quinoline
CID 162580745
2,5-Dimethyl-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene
CID 162581799
7,7-Diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene
CID 162582251
6-Butyl-6-ethyl-8,10-bis(trifluoromethyl)-7,11-dihydrobenzo[a]quinolizine
CID 162587372

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine?
The IUPAC name of 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine (CID 162590365) is 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine.
What is the SMILES notation for 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine?
The canonical SMILES for 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine is C=C1C2=C(C(F)(F)F)C=C(C(F)(F)F)CC2=C2C=CC=CN2C1(CC)CC.
What is the InChIKey of 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine?
The InChIKey is XFWZVUNTDRFRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N/c1-4-18(5-2)12(3)17-14(16-8-6-7-9-27(16)18)10-13(19(21,22)23)11-15(17)20(24,25)26/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine?
6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine has a molecular weight of 387.37 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine is sourced from PubChem (CID 162590365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).