3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane

C10H16F2N2 — CID 126580746

IUPAC3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CN(CCC3CNC3)CC21
InChIInChI=1S/C10H16F2N2/c11-10(12)8-5-14(6-9(8)10)2-1-7-3-13-4-7/h7-9,13H,1-6H2
InChIKeyKQWDNGSYWWEXLO-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.79
Rot. Bonds3

About 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane

3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 126580746) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane
PubChem CID126580746
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CN(CCC3CNC3)CC21
InChIInChI=1S/C10H16F2N2/c11-10(12)8-5-14(6-9(8)10)2-1-7-3-13-4-7/h7-9,13H,1-6H2
InChIKeyKQWDNGSYWWEXLO-UHFFFAOYSA-N
XLogP0.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane (CID 126580746) is 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane is FC1(F)C2CN(CCC3CNC3)CC21.
What is the InChIKey of 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is KQWDNGSYWWEXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c11-10(12)8-5-14(6-9(8)10)2-1-7-3-13-4-7/h7-9,13H,1-6H2.
What are the key properties of 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 202.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 126580746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).