(2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene

C19H28F3N3O2 — CID 169254396

IUPAC(2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene
SMILESC[C@H]1NC2NN[C@H]2OCCCCCCCOCC(F)(F)c2cccc1c2F
InChIInChI=1S/C19H28F3N3O2/c1-13-14-8-7-9-15(16(14)20)19(21,22)12-26-10-5-3-2-4-6-11-27-18-17(23-13)24-25-18/h7-9,13,17-18,23-25H,2-6,10-12H2,1H3/t13-,17?,18+/m1/s1
InChIKeyAXZHTQKPBSKOFQ-ODPJWBIYSA-N
MW387.45 g/mol
LogP3.33
Rot. Bonds

About (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene

(2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene (PubChem CID 169254396) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene.

Molecular Properties

Compound Name(2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene
PubChem CID169254396
Molecular FormulaC19H28F3N3O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC Name(2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene
SMILESC[C@H]1NC2NN[C@H]2OCCCCCCCOCC(F)(F)c2cccc1c2F
InChIInChI=1S/C19H28F3N3O2/c1-13-14-8-7-9-15(16(14)20)19(21,22)12-26-10-5-3-2-4-6-11-27-18-17(23-13)24-25-18/h7-9,13,17-18,23-25H,2-6,10-12H2,1H3/t13-,17?,18+/m1/s1
InChIKeyAXZHTQKPBSKOFQ-ODPJWBIYSA-N
XLogP3.33
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene 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 (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene?
The IUPAC name of (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene (CID 169254396) is (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene.
What is the SMILES notation for (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene?
The canonical SMILES for (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene is C[C@H]1NC2NN[C@H]2OCCCCCCCOCC(F)(F)c2cccc1c2F.
What is the InChIKey of (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene?
The InChIKey is AXZHTQKPBSKOFQ-ODPJWBIYSA-N. The full InChI is InChI=1S/C19H28F3N3O2/c1-13-14-8-7-9-15(16(14)20)19(21,22)12-26-10-5-3-2-4-6-11-27-18-17(23-13)24-25-18/h7-9,13,17-18,23-25H,2-6,10-12H2,1H3/t13-,17?,18+/m1/s1.
What are the key properties of (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene?
(2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene has a molecular weight of 387.45 g/mol, XLogP of 3.33, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-18,18,23-trifluoro-2-methyl-8,16-dioxa-3,5,6-triazatricyclo[17.3.1.04,7]tricosa-1(23),19,21-triene is sourced from PubChem (CID 169254396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).