1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone

C15H16F3NO — CID 86596196

IUPAC1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
SMILESCC1(C)C2CN(C(=O)C(F)(F)F)CC1c1ccccc12
InChIInChI=1S/C15H16F3NO/c1-14(2)11-7-19(13(20)15(16,17)18)8-12(14)10-6-4-3-5-9(10)11/h3-6,11-12H,7-8H2,1-2H3
InChIKeyQEYGZZHBBNTUDL-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.30
Rot. Bonds

About 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone

1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (PubChem CID 86596196) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
PubChem CID86596196
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
SMILESCC1(C)C2CN(C(=O)C(F)(F)F)CC1c1ccccc12
InChIInChI=1S/C15H16F3NO/c1-14(2)11-7-19(13(20)15(16,17)18)8-12(14)10-6-4-3-5-9(10)11/h3-6,11-12H,7-8H2,1-2H3
InChIKeyQEYGZZHBBNTUDL-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (CID 86596196) is 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone is CC1(C)C2CN(C(=O)C(F)(F)F)CC1c1ccccc12.
What is the InChIKey of 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone?
The InChIKey is QEYGZZHBBNTUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-14(2)11-7-19(13(20)15(16,17)18)8-12(14)10-6-4-3-5-9(10)11/h3-6,11-12H,7-8H2,1-2H3.
What are the key properties of 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone?
1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone has a molecular weight of 283.29 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12,12-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 86596196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).