6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine

C18H18F2N2 — CID 177161431

IUPAC6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine
SMILESCN.Fc1cc2c3c(c1)c(-c1ccccc1F)cn3CCC2
InChIInChI=1S/C17H13F2N.CH5N/c18-12-8-11-4-3-7-20-10-15(14(9-12)17(11)20)13-5-1-2-6-16(13)19;1-2/h1-2,5-6,8-10H,3-4,7H2;2H2,1H3
InChIKeyNQMDYDLRASDYOT-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.11
Rot. Bonds1

About 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine

6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine (PubChem CID 177161431) has the molecular formula C18H18F2N2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine.

Molecular Properties

Compound Name6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine
PubChem CID177161431
Molecular FormulaC18H18F2N2
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine
SMILESCN.Fc1cc2c3c(c1)c(-c1ccccc1F)cn3CCC2
InChIInChI=1S/C17H13F2N.CH5N/c18-12-8-11-4-3-7-20-10-15(14(9-12)17(11)20)13-5-1-2-6-16(13)19;1-2/h1-2,5-6,8-10H,3-4,7H2;2H2,1H3
InChIKeyNQMDYDLRASDYOT-UHFFFAOYSA-N
XLogP4.11
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine with MolForge

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Related Compounds

6-fluoro-3-[(3Z,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine
CID 177161585
3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)aniline
CID 116983918
3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
CID 177161441
8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N-methylaniline
CID 116983734
3-amino-1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propan-1-one
CID 96801563
3-bromo-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 116983615
[3-[4-(1,2-benzoxazol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl]-piperidin-1-ylmethanone
CID 175728517
3-(1H-indol-3-yl)-4-(6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrrole-2,5-dione
CID 22556672
3-(1,2-benzoxazol-3-yl)-4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione
CID 142456419
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
3-(2-fluorophenyl)-1-methylindole-6-carboxylic acid
CID 170838792

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine?
The IUPAC name of 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine (CID 177161431) is 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine.
What is the SMILES notation for 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine?
The canonical SMILES for 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine is CN.Fc1cc2c3c(c1)c(-c1ccccc1F)cn3CCC2.
What is the InChIKey of 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine?
The InChIKey is NQMDYDLRASDYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N.CH5N/c18-12-8-11-4-3-7-20-10-15(14(9-12)17(11)20)13-5-1-2-6-16(13)19;1-2/h1-2,5-6,8-10H,3-4,7H2;2H2,1H3.
What are the key properties of 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine?
6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine has a molecular weight of 300.35 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-fluorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanamine is sourced from PubChem (CID 177161431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).