3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane

C11H17F2N — CID 105453548

IUPAC3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(C1CC1)C1CC2CCC(C1)N2
InChIInChI=1S/C11H17F2N/c12-11(13,7-1-2-7)8-5-9-3-4-10(6-8)14-9/h7-10,14H,1-6H2
InChIKeyGVAQMZAEFHFPHA-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.56
Rot. Bonds2

About 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane

3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 105453548) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID105453548
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(C1CC1)C1CC2CCC(C1)N2
InChIInChI=1S/C11H17F2N/c12-11(13,7-1-2-7)8-5-9-3-4-10(6-8)14-9/h7-10,14H,1-6H2
InChIKeyGVAQMZAEFHFPHA-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane (CID 105453548) is 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane is FC(F)(C1CC1)C1CC2CCC(C1)N2.
What is the InChIKey of 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is GVAQMZAEFHFPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c12-11(13,7-1-2-7)8-5-9-3-4-10(6-8)14-9/h7-10,14H,1-6H2.
What are the key properties of 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane?
3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 201.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(difluoro)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 105453548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).