14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene

C12H17F2N3 — CID 155352855

IUPAC14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
SMILESCN1CCc2nn3c(c2C1)C(F)(F)CCCC3
InChIInChI=1S/C12H17F2N3/c1-16-7-4-10-9(8-16)11-12(13,14)5-2-3-6-17(11)15-10/h2-8H2,1H3
InChIKeyPKAYUKBZYDMDQQ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.15
Rot. Bonds

About 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene

14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene (PubChem CID 155352855) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene.

Molecular Properties

Compound Name14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
PubChem CID155352855
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
SMILESCN1CCc2nn3c(c2C1)C(F)(F)CCCC3
InChIInChI=1S/C12H17F2N3/c1-16-7-4-10-9(8-16)11-12(13,14)5-2-3-6-17(11)15-10/h2-8H2,1H3
InChIKeyPKAYUKBZYDMDQQ-UHFFFAOYSA-N
XLogP2.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene with MolForge

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Related Compounds

1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-1-methyl-4,5,6,7-tetrahydroindazole
CID 12031300
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-methyl-4,5,6,7-tetrahydroindazole
CID 12031302
4-(2-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydro-(2H)-indazol-3-yl)piperidine
CID 21912779
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
CID 45096966
5-tert-butyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57559211
6-ethyl-1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 58157179
3-Tert-butyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 58720021
1-isopropyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 58977163
4,5,6,7-Tetrahydro-1-methyl-3-(trifluoromethyl)pyrazolo-[4,3-c]-pyridine, hydrochloride
CID 69517021
5-ethyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71029829
1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71204306

Frequently Asked Questions

What is the IUPAC name of 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene?
The IUPAC name of 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene (CID 155352855) is 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene.
What is the SMILES notation for 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene?
The canonical SMILES for 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene is CN1CCc2nn3c(c2C1)C(F)(F)CCCC3.
What is the InChIKey of 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene?
The InChIKey is PKAYUKBZYDMDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-16-7-4-10-9(8-16)11-12(13,14)5-2-3-6-17(11)15-10/h2-8H2,1H3.
What are the key properties of 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene?
14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene has a molecular weight of 241.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene is sourced from PubChem (CID 155352855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).