(6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine

C17H15F6N — CID 162597607

IUPAC(6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine
SMILESCC1C2C(C(F)(F)F)=CC(C(F)(F)F)=CC2=C2C=CC=CN2[C@H]1C
InChIInChI=1S/C17H15F6N/c1-9-10(2)24-6-4-3-5-14(24)12-7-11(16(18,19)20)8-13(15(9)12)17(21,22)23/h3-10,15H,1-2H3/t9?,10-,15?/m0/s1
InChIKeyBHQUFCXKEBAWNF-VOZQYIJBSA-N
MW347.30 g/mol
LogP5.27
Rot. Bonds

About (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine

(6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine (PubChem CID 162597607) has the molecular formula C17H15F6N and a molecular weight of 347.30 g/mol. Its IUPAC name is (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine.

Molecular Properties

Compound Name(6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine
PubChem CID162597607
Molecular FormulaC17H15F6N
Molecular Weight347.30 g/mol
Exact Mass347.11
IUPAC Name(6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine
SMILESCC1C2C(C(F)(F)F)=CC(C(F)(F)F)=CC2=C2C=CC=CN2[C@H]1C
InChIInChI=1S/C17H15F6N/c1-9-10(2)24-6-4-3-5-14(24)12-7-11(16(18,19)20)8-13(15(9)12)17(21,22)23/h3-10,15H,1-2H3/t9?,10-,15?/m0/s1
InChIKeyBHQUFCXKEBAWNF-VOZQYIJBSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,4-Tetramethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-3-(3,3,3-trifluoroprop-1-en-2-yl)-2,3-dihydropyridin-1-ium
CID 123826438
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
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
1,3-difluoro-N,N,5,6,7-pentamethyl-4,5,6,11a-tetrahydro-3H-pyrido[2,1-a][2,7]naphthyridin-7-ium-10-amine
CID 149236234
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
N-[(5R)-5-ethyl-5-iodocyclohex-2-en-1-yl]-6-fluoro-4-methyl-N-[(3Z,5R)-3,4,8-trifluoro-7-iodo-5-methylocta-1,3-dien-2-yl]cyclohexa-2,4-dien-1-amine
CID 155086759
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
1-Cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline
CID 143016677
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
10-Fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene
CID 162575710

Frequently Asked Questions

What is the IUPAC name of (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine?
The IUPAC name of (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine (CID 162597607) is (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine.
What is the SMILES notation for (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine?
The canonical SMILES for (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine is CC1C2C(C(F)(F)F)=CC(C(F)(F)F)=CC2=C2C=CC=CN2[C@H]1C.
What is the InChIKey of (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine?
The InChIKey is BHQUFCXKEBAWNF-VOZQYIJBSA-N. The full InChI is InChI=1S/C17H15F6N/c1-9-10(2)24-6-4-3-5-14(24)12-7-11(16(18,19)20)8-13(15(9)12)17(21,22)23/h3-10,15H,1-2H3/t9?,10-,15?/m0/s1.
What are the key properties of (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine?
(6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine has a molecular weight of 347.30 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,7-dimethyl-8,10-bis(trifluoromethyl)-7,7a-dihydro-6H-benzo[a]quinolizine is sourced from PubChem (CID 162597607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).