1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one

C26H26F8N2O2 — CID 102113418

IUPAC1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC23C(F)=C(F)C45CN(C(=O)C(C)(C)C)CC46C(F)=C(F)C2(C1)C1(F)C3(F)C5(F)C61F
InChIInChI=1S/C26H26F8N2O2/c1-17(2,3)15(37)35-7-19-11(27)13(29)21-9-36(16(38)18(4,5)6)10-22(21)14(30)12(28)20(19,8-35)24(32)23(19,31)25(21,33)26(22,24)34/h7-10H2,1-6H3
InChIKeyLSBWNOQARRGWOJ-UHFFFAOYSA-N
MW550.49 g/mol
LogP4.91
Rot. Bonds

About 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one

1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one (PubChem CID 102113418) has the molecular formula C26H26F8N2O2 and a molecular weight of 550.49 g/mol. Its IUPAC name is 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one
PubChem CID102113418
Molecular FormulaC26H26F8N2O2
Molecular Weight550.49 g/mol
Exact Mass550.19
IUPAC Name1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC23C(F)=C(F)C45CN(C(=O)C(C)(C)C)CC46C(F)=C(F)C2(C1)C1(F)C3(F)C5(F)C61F
InChIInChI=1S/C26H26F8N2O2/c1-17(2,3)15(37)35-7-19-11(27)13(29)21-9-36(16(38)18(4,5)6)10-22(21)14(30)12(28)20(19,8-35)24(32)23(19,31)25(21,33)26(22,24)34/h7-10H2,1-6H3
InChIKeyLSBWNOQARRGWOJ-UHFFFAOYSA-N
XLogP4.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one 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 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one (CID 102113418) is 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC23C(F)=C(F)C45CN(C(=O)C(C)(C)C)CC46C(F)=C(F)C2(C1)C1(F)C3(F)C5(F)C61F.
What is the InChIKey of 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LSBWNOQARRGWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F8N2O2/c1-17(2,3)15(37)35-7-19-11(27)13(29)21-9-36(16(38)18(4,5)6)10-22(21)14(30)12(28)20(19,8-35)24(32)23(19,31)25(21,33)26(22,24)34/h7-10H2,1-6H3.
What are the key properties of 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one?
1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one has a molecular weight of 550.49 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 102113418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).