azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene

C6H5F2N — CID 22927970

IUPACazane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene
SMILESFc1c(F)c2ccc1=2.N
InChIInChI=1S/C6H2F2.H3N/c7-5-3-1-2-4(3)6(5)8;/h1-2H;1H3
InChIKeyXACCZKAVDGTWET-UHFFFAOYSA-N
MW129.11 g/mol
LogP1.73
Rot. Bonds

About azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene

azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene (PubChem CID 22927970) has the molecular formula C6H5F2N and a molecular weight of 129.11 g/mol. Its IUPAC name is azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene.

Molecular Properties

Compound Nameazane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene
PubChem CID22927970
Molecular FormulaC6H5F2N
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Nameazane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene
SMILESFc1c(F)c2ccc1=2.N
InChIInChI=1S/C6H2F2.H3N/c7-5-3-1-2-4(3)6(5)8;/h1-2H;1H3
InChIKeyXACCZKAVDGTWET-UHFFFAOYSA-N
XLogP1.73
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene?
The IUPAC name of azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene (CID 22927970) is azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene.
What is the SMILES notation for azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene?
The canonical SMILES for azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene is Fc1c(F)c2ccc1=2.N.
What is the InChIKey of azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene?
The InChIKey is XACCZKAVDGTWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2.H3N/c7-5-3-1-2-4(3)6(5)8;/h1-2H;1H3.
What are the key properties of azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene?
azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene has a molecular weight of 129.11 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-difluorobicyclo[2.2.0]hexa-1(4),2,5-triene is sourced from PubChem (CID 22927970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).