11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene

C14H12F2N2 — CID 118119443

IUPAC11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene
SMILESFC1=CC2=C(C3=CN4C=CC=CC4N3C2)C(F)C1
InChIInChI=1S/C14H12F2N2/c15-10-5-9-7-18-12(14(9)11(16)6-10)8-17-4-2-1-3-13(17)18/h1-5,8,11,13H,6-7H2
InChIKeyQQERXTYQVWMCNS-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.76
Rot. Bonds

About 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene

11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene (PubChem CID 118119443) has the molecular formula C14H12F2N2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene.

Molecular Properties

Compound Name11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene
PubChem CID118119443
Molecular FormulaC14H12F2N2
Molecular Weight246.26 g/mol
Exact Mass246.10
IUPAC Name11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene
SMILESFC1=CC2=C(C3=CN4C=CC=CC4N3C2)C(F)C1
InChIInChI=1S/C14H12F2N2/c15-10-5-9-7-18-12(14(9)11(16)6-10)8-17-4-2-1-3-13(17)18/h1-5,8,11,13H,6-7H2
InChIKeyQQERXTYQVWMCNS-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene?
The IUPAC name of 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene (CID 118119443) is 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene.
What is the SMILES notation for 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene?
The canonical SMILES for 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene is FC1=CC2=C(C3=CN4C=CC=CC4N3C2)C(F)C1.
What is the InChIKey of 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene?
The InChIKey is QQERXTYQVWMCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2/c15-10-5-9-7-18-12(14(9)11(16)6-10)8-17-4-2-1-3-13(17)18/h1-5,8,11,13H,6-7H2.
What are the key properties of 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene?
11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene has a molecular weight of 246.26 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-difluoro-1,7-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-3,5,8,10(15),13-pentaene is sourced from PubChem (CID 118119443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).