3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C8H10FNO2 — CID 131036106

IUPAC3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CCCF
InChIInChI=1S/C8H10FNO2/c9-2-1-3-10-7(11)5-4-6(5)8(10)12/h5-6H,1-4H2
InChIKeyIJXPWEFEFNXHPE-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.35
Rot. Bonds3

About 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 131036106) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID131036106
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CCCF
InChIInChI=1S/C8H10FNO2/c9-2-1-3-10-7(11)5-4-6(5)8(10)12/h5-6H,1-4H2
InChIKeyIJXPWEFEFNXHPE-UHFFFAOYSA-N
XLogP0.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 131036106) is 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1CCCF.
What is the InChIKey of 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is IJXPWEFEFNXHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c9-2-1-3-10-7(11)5-4-6(5)8(10)12/h5-6H,1-4H2.
What are the key properties of 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 171.17 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 131036106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).