1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane

C10H15F2N — CID 140985520

IUPAC1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane
SMILESFC(F)=CCC12CCCC(CC1)N2
InChIInChI=1S/C10H15F2N/c11-9(12)4-7-10-5-1-2-8(13-10)3-6-10/h4,8,13H,1-3,5-7H2
InChIKeyRJRUVEPCYJIOAT-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.83
Rot. Bonds2

About 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane

1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane (PubChem CID 140985520) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane
PubChem CID140985520
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane
SMILESFC(F)=CCC12CCCC(CC1)N2
InChIInChI=1S/C10H15F2N/c11-9(12)4-7-10-5-1-2-8(13-10)3-6-10/h4,8,13H,1-3,5-7H2
InChIKeyRJRUVEPCYJIOAT-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane (CID 140985520) is 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane is FC(F)=CCC12CCCC(CC1)N2.
What is the InChIKey of 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is RJRUVEPCYJIOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c11-9(12)4-7-10-5-1-2-8(13-10)3-6-10/h4,8,13H,1-3,5-7H2.
What are the key properties of 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane?
1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 187.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroprop-2-enyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 140985520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).