10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

C15H23F2N — CID 167424914

IUPAC10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C(CN1C(C)C)C1C=CC2C1(F)F
InChIInChI=1S/C15H23F2N/c1-8(2)14-13-10(7-18(14)9(3)4)11-5-6-12(13)15(11,16)17/h5-6,8-14H,7H2,1-4H3
InChIKeyRVKNHGJQAZQMCU-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.42
Rot. Bonds2

About 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 167424914) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID167424914
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C(CN1C(C)C)C1C=CC2C1(F)F
InChIInChI=1S/C15H23F2N/c1-8(2)14-13-10(7-18(14)9(3)4)11-5-6-12(13)15(11,16)17/h5-6,8-14H,7H2,1-4H3
InChIKeyRVKNHGJQAZQMCU-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 167424914) is 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is CC(C)C1C2C(CN1C(C)C)C1C=CC2C1(F)F.
What is the InChIKey of 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is RVKNHGJQAZQMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-8(2)14-13-10(7-18(14)9(3)4)11-5-6-12(13)15(11,16)17/h5-6,8-14H,7H2,1-4H3.
What are the key properties of 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
10,10-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 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 167424914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).