14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene

C12H16F3N3 — CID 155352784

IUPAC14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
SMILESFCC1CCn2nc3c(c2C(F)(F)C1)CNCC3
InChIInChI=1S/C12H16F3N3/c13-6-8-2-4-18-11(12(14,15)5-8)9-7-16-3-1-10(9)17-18/h8,16H,1-7H2
InChIKeyWAWRYTMFXUTETE-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.00
Rot. Bonds1

About 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene

14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene (PubChem CID 155352784) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene.

Molecular Properties

Compound Name14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
PubChem CID155352784
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
SMILESFCC1CCn2nc3c(c2C(F)(F)C1)CNCC3
InChIInChI=1S/C12H16F3N3/c13-6-8-2-4-18-11(12(14,15)5-8)9-7-16-3-1-10(9)17-18/h8,16H,1-7H2
InChIKeyWAWRYTMFXUTETE-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol
CID 175201591
1,1-difluoro-2-methoxyethane;14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155727961
(11S)-11-(2,2-difluoroethoxymethyl)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155360561
14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 155352887
tert-butyl (5R,12R)-14,14-difluoro-12-(hydroxymethyl)-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxylate
CID 155359741
4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 175767396
14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol
CID 155358635
[(5R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol
CID 155359559
9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
CID 91812066
2-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 91811911
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 84657575
5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene
CID 155350244

Frequently Asked Questions

What is the IUPAC name of 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene?
The IUPAC name of 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene (CID 155352784) is 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene.
What is the SMILES notation for 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene?
The canonical SMILES for 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene is FCC1CCn2nc3c(c2C(F)(F)C1)CNCC3.
What is the InChIKey of 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene?
The InChIKey is WAWRYTMFXUTETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-6-8-2-4-18-11(12(14,15)5-8)9-7-16-3-1-10(9)17-18/h8,16H,1-7H2.
What are the key properties of 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene?
14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene has a molecular weight of 259.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene is sourced from PubChem (CID 155352784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).