2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone

C20H16F6N2O2 — CID 15653156

IUPAC2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone
SMILESO=C(N1Cc2ccc(cc2)CN(C(=O)C(F)(F)F)Cc2ccc(cc2)C1)C(F)(F)F
InChIInChI=1S/C20H16F6N2O2/c21-19(22,23)17(29)27-9-13-1-2-14(4-3-13)10-28(18(30)20(24,25)26)12-16-7-5-15(11-27)6-8-16/h1-8H,9-12H2
InChIKeyRWWXNARAUOZSQC-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.18
Rot. Bonds

About 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone

2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone (PubChem CID 15653156) has the molecular formula C20H16F6N2O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone
PubChem CID15653156
Molecular FormulaC20H16F6N2O2
Molecular Weight430.35 g/mol
Exact Mass430.11
IUPAC Name2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone
SMILESO=C(N1Cc2ccc(cc2)CN(C(=O)C(F)(F)F)Cc2ccc(cc2)C1)C(F)(F)F
InChIInChI=1S/C20H16F6N2O2/c21-19(22,23)17(29)27-9-13-1-2-14(4-3-13)10-28(18(30)20(24,25)26)12-16-7-5-15(11-27)6-8-16/h1-8H,9-12H2
InChIKeyRWWXNARAUOZSQC-UHFFFAOYSA-N
XLogP4.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone (CID 15653156) is 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone is O=C(N1Cc2ccc(cc2)CN(C(=O)C(F)(F)F)Cc2ccc(cc2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone?
The InChIKey is RWWXNARAUOZSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N2O2/c21-19(22,23)17(29)27-9-13-1-2-14(4-3-13)10-28(18(30)20(24,25)26)12-16-7-5-15(11-27)6-8-16/h1-8H,9-12H2.
What are the key properties of 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone?
2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone has a molecular weight of 430.35 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[10-(2,2,2-trifluoroacetyl)-3,10-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaen-3-yl]ethanone is sourced from PubChem (CID 15653156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).