(3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C10H10FN3O4 — CID 139336658

IUPAC(3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESO=C1c2c(O)c(=O)c(F)cn2N[C@@H]2COCCN12
InChIInChI=1S/C10H10FN3O4/c11-5-3-14-7(9(16)8(5)15)10(17)13-1-2-18-4-6(13)12-14/h3,6,12,16H,1-2,4H2/t6-/m0/s1
InChIKeyDXPDNAVMMHBWMA-LURJTMIESA-N
MW255.20 g/mol
LogP-0.95
Rot. Bonds

About (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

(3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 139336658) has the molecular formula C10H10FN3O4 and a molecular weight of 255.20 g/mol. Its IUPAC name is (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name(3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID139336658
Molecular FormulaC10H10FN3O4
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name(3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESO=C1c2c(O)c(=O)c(F)cn2N[C@@H]2COCCN12
InChIInChI=1S/C10H10FN3O4/c11-5-3-14-7(9(16)8(5)15)10(17)13-1-2-18-4-6(13)12-14/h3,6,12,16H,1-2,4H2/t6-/m0/s1
InChIKeyDXPDNAVMMHBWMA-LURJTMIESA-N
XLogP-0.95
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 139336658) is (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is O=C1c2c(O)c(=O)c(F)cn2N[C@@H]2COCCN12.
What is the InChIKey of (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is DXPDNAVMMHBWMA-LURJTMIESA-N. The full InChI is InChI=1S/C10H10FN3O4/c11-5-3-14-7(9(16)8(5)15)10(17)13-1-2-18-4-6(13)12-14/h3,6,12,16H,1-2,4H2/t6-/m0/s1.
What are the key properties of (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
(3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 255.20 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-13-fluoro-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 139336658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).