1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine

C16H16F2N4 — CID 143417377

IUPAC1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine
SMILESFc1ccc(F)cc1.N[C@@H]1CCc2nc3cnccc3n2C1
InChIInChI=1S/C10H12N4.C6H4F2/c11-7-1-2-10-13-8-5-12-4-3-9(8)14(10)6-7;7-5-1-2-6(8)4-3-5/h3-5,7H,1-2,6,11H2;1-4H/t7-;/m1./s1
InChIKeyYCJTUQBLJFZQPH-OGFXRTJISA-N
MW302.33 g/mol
LogP2.67
Rot. Bonds

About 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine

1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine (PubChem CID 143417377) has the molecular formula C16H16F2N4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine.

Molecular Properties

Compound Name1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine
PubChem CID143417377
Molecular FormulaC16H16F2N4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine
SMILESFc1ccc(F)cc1.N[C@@H]1CCc2nc3cnccc3n2C1
InChIInChI=1S/C10H12N4.C6H4F2/c11-7-1-2-10-13-8-5-12-4-3-9(8)14(10)6-7;7-5-1-2-6(8)4-3-5/h3-5,7H,1-2,6,11H2;1-4H/t7-;/m1./s1
InChIKeyYCJTUQBLJFZQPH-OGFXRTJISA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-difluorobenzene;(12R)-4-fluoro-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-12-amine
CID 143417376
1,2,4-trifluorobenzene;(12R)-4-(trifluoromethyl)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-12-amine
CID 143417363
(12R)-3-chloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine;1,2,4-trifluorobenzene
CID 143234886
(11R,12R)-11-(2,4,5-trifluorophenyl)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine;hydrochloride
CID 45270905
3-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532654
(6S)-3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 124510269
(6S)-2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 124857280
6-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-amine
CID 115025604
1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine
CID 115564675
2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-5-fluorophenol
CID 136789725
1-(4-fluorophenyl)pyrrolo[3,2-c]pyridine
CID 66922198
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine?
The IUPAC name of 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine (CID 143417377) is 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine.
What is the SMILES notation for 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine?
The canonical SMILES for 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine is Fc1ccc(F)cc1.N[C@@H]1CCc2nc3cnccc3n2C1.
What is the InChIKey of 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine?
The InChIKey is YCJTUQBLJFZQPH-OGFXRTJISA-N. The full InChI is InChI=1S/C10H12N4.C6H4F2/c11-7-1-2-10-13-8-5-12-4-3-9(8)14(10)6-7;7-5-1-2-6(8)4-3-5/h3-5,7H,1-2,6,11H2;1-4H/t7-;/m1./s1.
What are the key properties of 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine?
1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine has a molecular weight of 302.33 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobenzene;(12R)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine is sourced from PubChem (CID 143417377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).