(5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]

C12H18F2N+ — CID 154709095

IUPAC(5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]
SMILESFC1(F)C(C2CC2)C12CC1CC[C@H](C2)[NH2+]1
InChIInChI=1S/C12H17F2N/c13-12(14)10(7-1-2-7)11(12)5-8-3-4-9(6-11)15-8/h7-10,15H,1-6H2/p+1/t8-,9?,10?,11?/m1/s1
InChIKeyLKMSTHYMPPIPTB-XUHYKBHQSA-O
MW214.28 g/mol
LogP1.54
Rot. Bonds1

About (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]

(5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane] (PubChem CID 154709095) has the molecular formula C12H18F2N+ and a molecular weight of 214.28 g/mol. Its IUPAC name is (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane].

Molecular Properties

Compound Name(5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]
PubChem CID154709095
Molecular FormulaC12H18F2N+
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name(5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]
SMILESFC1(F)C(C2CC2)C12CC1CC[C@H](C2)[NH2+]1
InChIInChI=1S/C12H17F2N/c13-12(14)10(7-1-2-7)11(12)5-8-3-4-9(6-11)15-8/h7-10,15H,1-6H2/p+1/t8-,9?,10?,11?/m1/s1
InChIKeyLKMSTHYMPPIPTB-XUHYKBHQSA-O
XLogP1.54
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]?
The IUPAC name of (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane] (CID 154709095) is (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane].
What is the SMILES notation for (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]?
The canonical SMILES for (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane] is FC1(F)C(C2CC2)C12CC1CC[C@H](C2)[NH2+]1.
What is the InChIKey of (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]?
The InChIKey is LKMSTHYMPPIPTB-XUHYKBHQSA-O. The full InChI is InChI=1S/C12H17F2N/c13-12(14)10(7-1-2-7)11(12)5-8-3-4-9(6-11)15-8/h7-10,15H,1-6H2/p+1/t8-,9?,10?,11?/m1/s1.
What are the key properties of (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]?
(5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane] has a molecular weight of 214.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane] is sourced from PubChem (CID 154709095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).