(4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene

C13H17FN2O — CID 146510454

IUPAC(4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
SMILESCC(C)c1ccnc2c1OCC1C[C@@H](F)CN21
InChIInChI=1S/C13H17FN2O/c1-8(2)11-3-4-15-13-12(11)17-7-10-5-9(14)6-16(10)13/h3-4,8-10H,5-7H2,1-2H3/t9-,10?/m1/s1
InChIKeyGTAIQRJMXUUXIF-YHMJZVADSA-N
MW236.29 g/mol
LogP2.51
Rot. Bonds1

About (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene

(4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene (PubChem CID 146510454) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene.

Molecular Properties

Compound Name(4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
PubChem CID146510454
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
SMILESCC(C)c1ccnc2c1OCC1C[C@@H](F)CN21
InChIInChI=1S/C13H17FN2O/c1-8(2)11-3-4-15-13-12(11)17-7-10-5-9(14)6-16(10)13/h3-4,8-10H,5-7H2,1-2H3/t9-,10?/m1/s1
InChIKeyGTAIQRJMXUUXIF-YHMJZVADSA-N
XLogP2.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-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 (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The IUPAC name of (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene (CID 146510454) is (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene.
What is the SMILES notation for (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The canonical SMILES for (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene is CC(C)c1ccnc2c1OCC1C[C@@H](F)CN21.
What is the InChIKey of (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The InChIKey is GTAIQRJMXUUXIF-YHMJZVADSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8(2)11-3-4-15-13-12(11)17-7-10-5-9(14)6-16(10)13/h3-4,8-10H,5-7H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
(4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene has a molecular weight of 236.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-10-propan-2-yl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene is sourced from PubChem (CID 146510454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).