6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one

C5H5F2NO — CID 25072955

IUPAC6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2C1C2(F)F
InChIInChI=1S/C5H5F2NO/c6-5(7)2-1-8-4(9)3(2)5/h2-3H,1H2,(H,8,9)
InChIKeyITWSYPVTIHBDAL-UHFFFAOYSA-N
MW133.10 g/mol
LogP-0.00
Rot. Bonds

About 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one

6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 25072955) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID25072955
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2C1C2(F)F
InChIInChI=1S/C5H5F2NO/c6-5(7)2-1-8-4(9)3(2)5/h2-3H,1H2,(H,8,9)
InChIKeyITWSYPVTIHBDAL-UHFFFAOYSA-N
XLogP-0.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one (CID 25072955) is 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one is O=C1NCC2C1C2(F)F.
What is the InChIKey of 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is ITWSYPVTIHBDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c6-5(7)2-1-8-4(9)3(2)5/h2-3H,1H2,(H,8,9).
What are the key properties of 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one?
6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 133.10 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 25072955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).