2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

C15H23F2N — CID 167425170

IUPAC2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1N(C(C)C)CC2(F)C3C=CC(C3)C12F
InChIInChI=1S/C15H23F2N/c1-9(2)13-15(17)12-6-5-11(7-12)14(15,16)8-18(13)10(3)4/h5-6,9-13H,7-8H2,1-4H3
InChIKeyDOWNPSDBGBARHB-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.36
Rot. Bonds2

About 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 167425170) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID167425170
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1N(C(C)C)CC2(F)C3C=CC(C3)C12F
InChIInChI=1S/C15H23F2N/c1-9(2)13-15(17)12-6-5-11(7-12)14(15,16)8-18(13)10(3)4/h5-6,9-13H,7-8H2,1-4H3
InChIKeyDOWNPSDBGBARHB-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 167425170) is 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is CC(C)C1N(C(C)C)CC2(F)C3C=CC(C3)C12F.
What is the InChIKey of 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is DOWNPSDBGBARHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-9(2)13-15(17)12-6-5-11(7-12)14(15,16)8-18(13)10(3)4/h5-6,9-13H,7-8H2,1-4H3.
What are the key properties of 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 255.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 167425170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).