2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane

C8H15FN2 — CID 170151655

IUPAC2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane
SMILESFCCCN1CC2(CNC2)C1
InChIInChI=1S/C8H15FN2/c9-2-1-3-11-6-8(7-11)4-10-5-8/h10H,1-7H2
InChIKeyCLAQZKLPZLSVDQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.25
Rot. Bonds3

About 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane

2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 170151655) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane
PubChem CID170151655
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane
SMILESFCCCN1CC2(CNC2)C1
InChIInChI=1S/C8H15FN2/c9-2-1-3-11-6-8(7-11)4-10-5-8/h10H,1-7H2
InChIKeyCLAQZKLPZLSVDQ-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane (CID 170151655) is 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane is FCCCN1CC2(CNC2)C1.
What is the InChIKey of 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is CLAQZKLPZLSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-2-1-3-11-6-8(7-11)4-10-5-8/h10H,1-7H2.
What are the key properties of 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane?
2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 158.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 170151655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).