1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]

C13H21F2N — CID 131703629

IUPAC1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]
SMILESCC(C)CC1C(F)(F)C12CC1CCC(C2)N1
InChIInChI=1S/C13H21F2N/c1-8(2)5-11-12(13(11,14)15)6-9-3-4-10(7-12)16-9/h8-11,16H,3-7H2,1-2H3
InChIKeyMJIVHLCWVCLOHW-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.20
Rot. Bonds2

About 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]

1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] (PubChem CID 131703629) has the molecular formula C13H21F2N and a molecular weight of 229.31 g/mol. Its IUPAC name is 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane].

Molecular Properties

Compound Name1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]
PubChem CID131703629
Molecular FormulaC13H21F2N
Molecular Weight229.31 g/mol
Exact Mass229.16
IUPAC Name1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]
SMILESCC(C)CC1C(F)(F)C12CC1CCC(C2)N1
InChIInChI=1S/C13H21F2N/c1-8(2)5-11-12(13(11,14)15)6-9-3-4-10(7-12)16-9/h8-11,16H,3-7H2,1-2H3
InChIKeyMJIVHLCWVCLOHW-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]?
The IUPAC name of 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] (CID 131703629) is 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane].
What is the SMILES notation for 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]?
The canonical SMILES for 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] is CC(C)CC1C(F)(F)C12CC1CCC(C2)N1.
What is the InChIKey of 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]?
The InChIKey is MJIVHLCWVCLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N/c1-8(2)5-11-12(13(11,14)15)6-9-3-4-10(7-12)16-9/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]?
1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] has a molecular weight of 229.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] is sourced from PubChem (CID 131703629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).