15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one

C17H12F3NO2 — CID 2999612

IUPAC15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one
SMILESO=C1N2c3ccccc3CCc3cccc(c32)C1(O)C(F)(F)F
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)16(23)12-6-3-5-11-9-8-10-4-1-2-7-13(10)21(14(11)12)15(16)22/h1-7,23H,8-9H2
InChIKeyNLNATMYORVUROW-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.21
Rot. Bonds

About 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one

15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one (PubChem CID 2999612) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one.

Molecular Properties

Compound Name15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one
PubChem CID2999612
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one
SMILESO=C1N2c3ccccc3CCc3cccc(c32)C1(O)C(F)(F)F
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)16(23)12-6-3-5-11-9-8-10-4-1-2-7-13(10)21(14(11)12)15(16)22/h1-7,23H,8-9H2
InChIKeyNLNATMYORVUROW-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one?
The IUPAC name of 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one (CID 2999612) is 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one.
What is the SMILES notation for 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one?
The canonical SMILES for 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one is O=C1N2c3ccccc3CCc3cccc(c32)C1(O)C(F)(F)F.
What is the InChIKey of 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one?
The InChIKey is NLNATMYORVUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c18-17(19,20)16(23)12-6-3-5-11-9-8-10-4-1-2-7-13(10)21(14(11)12)15(16)22/h1-7,23H,8-9H2.
What are the key properties of 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one?
15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one has a molecular weight of 319.28 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-15-(trifluoromethyl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-16-one is sourced from PubChem (CID 2999612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).