1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]

C9H13F2N — CID 164876001

IUPAC1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]
SMILESFC1(F)CC12CC1CCCN1C2
InChIInChI=1S/C9H13F2N/c10-9(11)5-8(9)4-7-2-1-3-12(7)6-8/h7H,1-6H2
InChIKeyHTHWIFPSQOFHMM-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.88
Rot. Bonds

About 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]

1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane] (PubChem CID 164876001) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane].

Molecular Properties

Compound Name1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]
PubChem CID164876001
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]
SMILESFC1(F)CC12CC1CCCN1C2
InChIInChI=1S/C9H13F2N/c10-9(11)5-8(9)4-7-2-1-3-12(7)6-8/h7H,1-6H2
InChIKeyHTHWIFPSQOFHMM-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]?
The IUPAC name of 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane] (CID 164876001) is 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane].
What is the SMILES notation for 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]?
The canonical SMILES for 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane] is FC1(F)CC12CC1CCCN1C2.
What is the InChIKey of 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]?
The InChIKey is HTHWIFPSQOFHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c10-9(11)5-8(9)4-7-2-1-3-12(7)6-8/h7H,1-6H2.
What are the key properties of 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]?
1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane] has a molecular weight of 173.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane] is sourced from PubChem (CID 164876001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).