13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione

C18H18F2N2O2 — CID 58811798

IUPAC13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione
SMILESCC(C)N1C(=O)C(F)(F)c2cc3[nH]c4c(c3cc21)CCCCC4=O
InChIInChI=1S/C18H18F2N2O2/c1-9(2)22-14-7-11-10-5-3-4-6-15(23)16(10)21-13(11)8-12(14)18(19,20)17(22)24/h7-9,21H,3-6H2,1-2H3
InChIKeyFMUUYPZBFNCHPC-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.92
Rot. Bonds1

About 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione

13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione (PubChem CID 58811798) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione.

Molecular Properties

Compound Name13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione
PubChem CID58811798
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione
SMILESCC(C)N1C(=O)C(F)(F)c2cc3[nH]c4c(c3cc21)CCCCC4=O
InChIInChI=1S/C18H18F2N2O2/c1-9(2)22-14-7-11-10-5-3-4-6-15(23)16(10)21-13(11)8-12(14)18(19,20)17(22)24/h7-9,21H,3-6H2,1-2H3
InChIKeyFMUUYPZBFNCHPC-UHFFFAOYSA-N
XLogP3.92
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione?
The IUPAC name of 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione (CID 58811798) is 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione.
What is the SMILES notation for 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione?
The canonical SMILES for 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione is CC(C)N1C(=O)C(F)(F)c2cc3[nH]c4c(c3cc21)CCCCC4=O.
What is the InChIKey of 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione?
The InChIKey is FMUUYPZBFNCHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-9(2)22-14-7-11-10-5-3-4-6-15(23)16(10)21-13(11)8-12(14)18(19,20)17(22)24/h7-9,21H,3-6H2,1-2H3.
What are the key properties of 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione?
13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione has a molecular weight of 332.35 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-difluoro-15-propan-2-yl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione is sourced from PubChem (CID 58811798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).