11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one

C11H14F2N4O — CID 146625507

IUPAC11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
SMILESCN1CC(F)(F)Cn2nc3c(c2C1=O)CNCC3
InChIInChI=1S/C11H14F2N4O/c1-16-5-11(12,13)6-17-9(10(16)18)7-4-14-3-2-8(7)15-17/h14H,2-6H2,1H3
InChIKeyUIMUGUCFVIAANE-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.25
Rot. Bonds

About 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one

11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one (PubChem CID 146625507) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one.

Molecular Properties

Compound Name11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
PubChem CID146625507
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
SMILESCN1CC(F)(F)Cn2nc3c(c2C1=O)CNCC3
InChIInChI=1S/C11H14F2N4O/c1-16-5-11(12,13)6-17-9(10(16)18)7-4-14-3-2-8(7)15-17/h14H,2-6H2,1H3
InChIKeyUIMUGUCFVIAANE-UHFFFAOYSA-N
XLogP0.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The IUPAC name of 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one (CID 146625507) is 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one.
What is the SMILES notation for 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The canonical SMILES for 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one is CN1CC(F)(F)Cn2nc3c(c2C1=O)CNCC3.
What is the InChIKey of 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The InChIKey is UIMUGUCFVIAANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c1-16-5-11(12,13)6-17-9(10(16)18)7-4-14-3-2-8(7)15-17/h14H,2-6H2,1H3.
What are the key properties of 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one has a molecular weight of 256.26 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-difluoro-13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one is sourced from PubChem (CID 146625507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).