azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene

C7H7F2N — CID 174819765

IUPACazane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene
SMILESFC1(F)c2cccc1c2.N
InChIInChI=1S/C7H4F2.H3N/c8-7(9)5-2-1-3-6(7)4-5;/h1-4H;1H3
InChIKeyULAYRUUKMIIEQZ-UHFFFAOYSA-N
MW143.14 g/mol
LogP2.30
Rot. Bonds

About azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene

azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene (PubChem CID 174819765) has the molecular formula C7H7F2N and a molecular weight of 143.14 g/mol. Its IUPAC name is azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene.

Molecular Properties

Compound Nameazane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene
PubChem CID174819765
Molecular FormulaC7H7F2N
Molecular Weight143.14 g/mol
Exact Mass143.05
IUPAC Nameazane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene
SMILESFC1(F)c2cccc1c2.N
InChIInChI=1S/C7H4F2.H3N/c8-7(9)5-2-1-3-6(7)4-5;/h1-4H;1H3
InChIKeyULAYRUUKMIIEQZ-UHFFFAOYSA-N
XLogP2.30
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene?
The IUPAC name of azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene (CID 174819765) is azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene.
What is the SMILES notation for azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene?
The canonical SMILES for azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene is FC1(F)c2cccc1c2.N.
What is the InChIKey of azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene?
The InChIKey is ULAYRUUKMIIEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2.H3N/c8-7(9)5-2-1-3-6(7)4-5;/h1-4H;1H3.
What are the key properties of azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene?
azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene has a molecular weight of 143.14 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;7,7-difluorobicyclo[3.1.1]hepta-1(6),2,4-triene is sourced from PubChem (CID 174819765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).