4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

C16H12F2N2 — CID 5233210

IUPAC4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESFc1ccc(-c2cc3n(c2)CCn2cccc2-3)c(F)c1
InChIInChI=1S/C16H12F2N2/c17-12-3-4-13(14(18)9-12)11-8-16-15-2-1-5-19(15)6-7-20(16)10-11/h1-5,8-10H,6-7H2
InChIKeyXVSNHRLMGMSGEE-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.92
Rot. Bonds1

About 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (PubChem CID 5233210) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
PubChem CID5233210
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESFc1ccc(-c2cc3n(c2)CCn2cccc2-3)c(F)c1
InChIInChI=1S/C16H12F2N2/c17-12-3-4-13(14(18)9-12)11-8-16-15-2-1-5-19(15)6-7-20(16)10-11/h1-5,8-10H,6-7H2
InChIKeyXVSNHRLMGMSGEE-UHFFFAOYSA-N
XLogP3.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene with MolForge

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Related Compounds

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(+-)-Dimethindene
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Dimetindene, (R)-
CID 12963076
(3r,4s)-1-[(1s)-7-Fluoro-2,3-Dihydro-1h-Inden-1-Yl]-N,N-Dimethyl-4-(1-Methyl-1h-Indol-3-Yl)pyrrolidin-3-Amine
CID 123132216
(+)-Dimethindene
CID 6604866
1-methyl-N,N-dimethyltryptamine
CID 25927
6,7-Diphenyl-2,3-dihydro-1H-pyrrolizine
CID 155766
1-phenyl-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine
CID 2770910
2-Phenylindolizine
CID 96128

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The IUPAC name of 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (CID 5233210) is 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The canonical SMILES for 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is Fc1ccc(-c2cc3n(c2)CCn2cccc2-3)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The InChIKey is XVSNHRLMGMSGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c17-12-3-4-13(14(18)9-12)11-8-16-15-2-1-5-19(15)6-7-20(16)10-11/h1-5,8-10H,6-7H2.
What are the key properties of 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene has a molecular weight of 270.28 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is sourced from PubChem (CID 5233210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).