3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene

C18H16FN — CID 177161441

IUPAC3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCC1CCn2cc(-c3ccccc3F)c3cccc1c32
InChIInChI=1S/C18H16FN/c1-12-9-10-20-11-16(14-5-2-3-8-17(14)19)15-7-4-6-13(12)18(15)20/h2-8,11-12H,9-10H2,1H3
InChIKeyILLLQUHJZSGGDT-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.95
Rot. Bonds1

About 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene

3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (PubChem CID 177161441) has the molecular formula C18H16FN and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene.

Molecular Properties

Compound Name3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
PubChem CID177161441
Molecular FormulaC18H16FN
Molecular Weight265.33 g/mol
Exact Mass265.13
IUPAC Name3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCC1CCn2cc(-c3ccccc3F)c3cccc1c32
InChIInChI=1S/C18H16FN/c1-12-9-10-20-11-16(14-5-2-3-8-17(14)19)15-7-4-6-13(12)18(15)20/h2-8,11-12H,9-10H2,1H3
InChIKeyILLLQUHJZSGGDT-UHFFFAOYSA-N
XLogP4.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluorophenyl)-N,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine
CID 177161442
6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine
CID 177161431
10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
CID 142894402
(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
CID 89270556
2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 134491135
5,6-difluoro-10-(methylamino)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-9-ol;5,6-difluoro-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;ethane;N-methylmethanamine
CID 177161567
(4-amino-3,5-difluorophenyl)-(3-methyl-9-oxa-13-azapentacyclo[11.6.1.02,7.08,10.016,20]icosa-1(19),2,4,6,14,16(20),17-heptaen-15-yl)methanone
CID 166102194
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
9,10-bis(2-fluorophenyl)anthracene
CID 101446406
(6R)-2-(2-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462659
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83069908
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The IUPAC name of 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (CID 177161441) is 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene.
What is the SMILES notation for 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The canonical SMILES for 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is CC1CCn2cc(-c3ccccc3F)c3cccc1c32.
What is the InChIKey of 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The InChIKey is ILLLQUHJZSGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN/c1-12-9-10-20-11-16(14-5-2-3-8-17(14)19)15-7-4-6-13(12)18(15)20/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene has a molecular weight of 265.33 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is sourced from PubChem (CID 177161441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).