5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene

C6H5FN2 — CID 174747281

IUPAC5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene
SMILESFC=CCc1c2cnn1-2
InChIInChI=1S/C6H5FN2/c7-3-1-2-5-6-4-8-9(5)6/h1,3-4H,2H2
InChIKeyXUPCSJLZBRLOKS-UHFFFAOYSA-N
MW124.12 g/mol
LogP1.21
Rot. Bonds2

About 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene

5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene (PubChem CID 174747281) has the molecular formula C6H5FN2 and a molecular weight of 124.12 g/mol. Its IUPAC name is 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene.

Molecular Properties

Compound Name5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene
PubChem CID174747281
Molecular FormulaC6H5FN2
Molecular Weight124.12 g/mol
Exact Mass124.04
IUPAC Name5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene
SMILESFC=CCc1c2cnn1-2
InChIInChI=1S/C6H5FN2/c7-3-1-2-5-6-4-8-9(5)6/h1,3-4H,2H2
InChIKeyXUPCSJLZBRLOKS-UHFFFAOYSA-N
XLogP1.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene?
The IUPAC name of 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene (CID 174747281) is 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene.
What is the SMILES notation for 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene?
The canonical SMILES for 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene is FC=CCc1c2cnn1-2.
What is the InChIKey of 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene?
The InChIKey is XUPCSJLZBRLOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2/c7-3-1-2-5-6-4-8-9(5)6/h1,3-4H,2H2.
What are the key properties of 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene?
5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene has a molecular weight of 124.12 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroprop-2-enyl)-1,2-diazabicyclo[2.1.0]penta-2,4-diene is sourced from PubChem (CID 174747281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).