7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane

C10H11F2NS — CID 121209257

IUPAC7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane
SMILESFC1(F)C2CNCCC21c1ccsc1
InChIInChI=1S/C10H11F2NS/c11-10(12)8-5-13-3-2-9(8,10)7-1-4-14-6-7/h1,4,6,8,13H,2-3,5H2
InChIKeyOAEHUSCJZZBTSH-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.24
Rot. Bonds1

About 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane

7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 121209257) has the molecular formula C10H11F2NS and a molecular weight of 215.27 g/mol. Its IUPAC name is 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane
PubChem CID121209257
Molecular FormulaC10H11F2NS
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane
SMILESFC1(F)C2CNCCC21c1ccsc1
InChIInChI=1S/C10H11F2NS/c11-10(12)8-5-13-3-2-9(8,10)7-1-4-14-6-7/h1,4,6,8,13H,2-3,5H2
InChIKeyOAEHUSCJZZBTSH-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane (CID 121209257) is 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane is FC1(F)C2CNCCC21c1ccsc1.
What is the InChIKey of 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is OAEHUSCJZZBTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NS/c11-10(12)8-5-13-3-2-9(8,10)7-1-4-14-6-7/h1,4,6,8,13H,2-3,5H2.
What are the key properties of 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane?
7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 215.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 121209257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).