6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C14H4F2N2O4 — CID 171592133

IUPAC6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1F)C(=O)N(F)C3=O
InChIInChI=1S/C14H4F2N2O4/c15-17-11(19)5-1-2-6-10-8(14(22)18(16)12(6)20)4-3-7(9(5)10)13(17)21/h1-4H
InChIKeyBFKLVFNXYKFMNH-UHFFFAOYSA-N
MW302.19 g/mol
LogP1.80
Rot. Bonds

About 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 171592133) has the molecular formula C14H4F2N2O4 and a molecular weight of 302.19 g/mol. Its IUPAC name is 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID171592133
Molecular FormulaC14H4F2N2O4
Molecular Weight302.19 g/mol
Exact Mass302.01
IUPAC Name6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1F)C(=O)N(F)C3=O
InChIInChI=1S/C14H4F2N2O4/c15-17-11(19)5-1-2-6-10-8(14(22)18(16)12(6)20)4-3-7(9(5)10)13(17)21/h1-4H
InChIKeyBFKLVFNXYKFMNH-UHFFFAOYSA-N
XLogP1.80
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Related Compounds

Naphthalimide
CID 66491
Perylenediimide
CID 66475
2,9-dimethylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
CID 79657
N-Hydroxynaphthalimide
CID 82263
Naphthalenediimide
CID 157464
2,7-bis(4-Hydroxybutyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
CID 3130863
n,n-(1,8-naphthalyl)hydroxylamine sodium salt
CID 23689369
NDICHex
CID 4210039
2,7-Bis(3-(dimethylamino)propyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
CID 157462
2,7-Dihexylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
CID 10670478
2,7-Bis(2-(diethylamino)ethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
CID 424523
N,N'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn]-3,8-phenanthroline-2,7-diyl)diacetamide
CID 3897207

Frequently Asked Questions

What is the IUPAC name of 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 171592133) is 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is O=C1c2ccc3c4c(ccc(c24)C(=O)N1F)C(=O)N(F)C3=O.
What is the InChIKey of 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is BFKLVFNXYKFMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F2N2O4/c15-17-11(19)5-1-2-6-10-8(14(22)18(16)12(6)20)4-3-7(9(5)10)13(17)21/h1-4H.
What are the key properties of 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 302.19 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 171592133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).