(3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione

C17H8F3NO3 — CID 166464978

IUPAC(3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione
SMILESO=c1/c(=C(\O)C(F)(F)F)c(=O)n2c3ccccc3c3cccc1c32
InChIInChI=1S/C17H8F3NO3/c18-17(19,20)15(23)12-14(22)10-6-3-5-9-8-4-1-2-7-11(8)21(13(9)10)16(12)24/h1-7,23H/b15-12+
InChIKeySXJCIEZGVKFQGQ-NTCAYCPXSA-N
MW331.25 g/mol
LogP2.35
Rot. Bonds

About (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione

(3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione (PubChem CID 166464978) has the molecular formula C17H8F3NO3 and a molecular weight of 331.25 g/mol. Its IUPAC name is (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione.

Molecular Properties

Compound Name(3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione
PubChem CID166464978
Molecular FormulaC17H8F3NO3
Molecular Weight331.25 g/mol
Exact Mass331.05
IUPAC Name(3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione
SMILESO=c1/c(=C(\O)C(F)(F)F)c(=O)n2c3ccccc3c3cccc1c32
InChIInChI=1S/C17H8F3NO3/c18-17(19,20)15(23)12-14(22)10-6-3-5-9-8-4-1-2-7-11(8)21(13(9)10)16(12)24/h1-7,23H/b15-12+
InChIKeySXJCIEZGVKFQGQ-NTCAYCPXSA-N
XLogP2.35
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione 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 (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione?
The IUPAC name of (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione (CID 166464978) is (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione.
What is the SMILES notation for (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione?
The canonical SMILES for (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione is O=c1/c(=C(\O)C(F)(F)F)c(=O)n2c3ccccc3c3cccc1c32.
What is the InChIKey of (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione?
The InChIKey is SXJCIEZGVKFQGQ-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H8F3NO3/c18-17(19,20)15(23)12-14(22)10-6-3-5-9-8-4-1-2-7-11(8)21(13(9)10)16(12)24/h1-7,23H/b15-12+.
What are the key properties of (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione?
(3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione has a molecular weight of 331.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,2,2-trifluoro-1-hydroxyethylidene)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione is sourced from PubChem (CID 166464978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).