2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene

C20H19F6N — CID 162593127

IUPAC2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene
SMILESCCC12CC1(CC)N1C=CC=CC1=C1C=C(C(F)(F)F)C=C(C(F)(F)F)C12
InChIInChI=1S/C20H19F6N/c1-3-17-11-18(17,4-2)27-8-6-5-7-15(27)13-9-12(19(21,22)23)10-14(16(13)17)20(24,25)26/h5-10,16H,3-4,11H2,1-2H3
InChIKeyFSSHQHLMIJOAPH-UHFFFAOYSA-N
MW387.37 g/mol
LogP6.20
Rot. Bonds2

About 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene

2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene (PubChem CID 162593127) has the molecular formula C20H19F6N and a molecular weight of 387.37 g/mol. Its IUPAC name is 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene.

Molecular Properties

Compound Name2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene
PubChem CID162593127
Molecular FormulaC20H19F6N
Molecular Weight387.37 g/mol
Exact Mass387.14
IUPAC Name2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene
SMILESCCC12CC1(CC)N1C=CC=CC1=C1C=C(C(F)(F)F)C=C(C(F)(F)F)C12
InChIInChI=1S/C20H19F6N/c1-3-17-11-18(17,4-2)27-8-6-5-7-15(27)13-9-12(19(21,22)23)10-14(16(13)17)20(24,25)26/h5-10,16H,3-4,11H2,1-2H3
InChIKeyFSSHQHLMIJOAPH-UHFFFAOYSA-N
XLogP6.20
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 ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene with MolForge

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Related Compounds

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
7-[(E)-but-2-en-2-yl]-8,8-dimethyl-3-[2-(1-methylcyclopentyl)ethyl]-6-methylidene-11-(trifluoromethyl)-7,12-dihydropyrido[2,1-a][2]benzazepine
CID 162588565
6,6-diethyl-7-methylidene-8,10-bis(trifluoromethyl)-11H-benzo[a]quinolizine
CID 162590365
7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine
CID 162590687
7-Ethyl-7-pent-1-en-2-yl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine
CID 162590834

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene?
The IUPAC name of 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene (CID 162593127) is 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene.
What is the SMILES notation for 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene?
The canonical SMILES for 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene is CCC12CC1(CC)N1C=CC=CC1=C1C=C(C(F)(F)F)C=C(C(F)(F)F)C12.
What is the InChIKey of 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene?
The InChIKey is FSSHQHLMIJOAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N/c1-3-17-11-18(17,4-2)27-8-6-5-7-15(27)13-9-12(19(21,22)23)10-14(16(13)17)20(24,25)26/h5-10,16H,3-4,11H2,1-2H3.
What are the key properties of 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene?
2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene has a molecular weight of 387.37 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6,8-bis(trifluoromethyl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-6,8,10,12,14-pentaene is sourced from PubChem (CID 162593127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).