3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H16FNO2 — CID 23289981

IUPAC3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CCCCCCF
InChIInChI=1S/C11H16FNO2/c12-5-3-1-2-4-6-13-10(14)8-7-9(8)11(13)15/h8-9H,1-7H2
InChIKeySUYUWPNISILXMJ-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.52
Rot. Bonds6

About 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 23289981) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID23289981
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CCCCCCF
InChIInChI=1S/C11H16FNO2/c12-5-3-1-2-4-6-13-10(14)8-7-9(8)11(13)15/h8-9H,1-7H2
InChIKeySUYUWPNISILXMJ-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 23289981) is 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1CCCCCCF.
What is the InChIKey of 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is SUYUWPNISILXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c12-5-3-1-2-4-6-13-10(14)8-7-9(8)11(13)15/h8-9H,1-7H2.
What are the key properties of 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 213.25 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluorohexyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 23289981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).