10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol

C18H14F2N2O2 — CID 136707514

IUPAC10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol
SMILESOc1c2ccccc2c(O)c2c3/c(c(F)c(F)c12)=N\CCCC/N=3
InChIInChI=1S/C18H14F2N2O2/c19-13-11-12(15-16(14(13)20)22-8-4-3-7-21-15)18(24)10-6-2-1-5-9(10)17(11)23/h1-2,5-6,23-24H,3-4,7-8H2/b21-15-,22-16-
InChIKeyGXNKIJARKLZUIP-BMJUYKDLSA-N
MW328.32 g/mol
LogP2.72
Rot. Bonds

About 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol

10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol (PubChem CID 136707514) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol.

Molecular Properties

Compound Name10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol
PubChem CID136707514
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol
SMILESOc1c2ccccc2c(O)c2c3/c(c(F)c(F)c12)=N\CCCC/N=3
InChIInChI=1S/C18H14F2N2O2/c19-13-11-12(15-16(14(13)20)22-8-4-3-7-21-15)18(24)10-6-2-1-5-9(10)17(11)23/h1-2,5-6,23-24H,3-4,7-8H2/b21-15-,22-16-
InChIKeyGXNKIJARKLZUIP-BMJUYKDLSA-N
XLogP2.72
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol?
The IUPAC name of 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol (CID 136707514) is 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol.
What is the SMILES notation for 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol?
The canonical SMILES for 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol is Oc1c2ccccc2c(O)c2c3/c(c(F)c(F)c12)=N\CCCC/N=3.
What is the InChIKey of 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol?
The InChIKey is GXNKIJARKLZUIP-BMJUYKDLSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-13-11-12(15-16(14(13)20)22-8-4-3-7-21-15)18(24)10-6-2-1-5-9(10)17(11)23/h1-2,5-6,23-24H,3-4,7-8H2/b21-15-,22-16-.
What are the key properties of 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol?
10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol has a molecular weight of 328.32 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol is sourced from PubChem (CID 136707514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).