7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one

C13H11FN2O2 — CID 58307562

IUPAC7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one
SMILESO=C1NCCc2c1[nH]c1cc(F)c3c(c21)CCO3
InChIInChI=1S/C13H11FN2O2/c14-8-5-9-10(7-2-4-18-12(7)8)6-1-3-15-13(17)11(6)16-9/h5,16H,1-4H2,(H,15,17)
InChIKeyLIZIUHHEBTYWTM-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.53
Rot. Bonds

About 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one

7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one (PubChem CID 58307562) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one.

Molecular Properties

Compound Name7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one
PubChem CID58307562
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one
SMILESO=C1NCCc2c1[nH]c1cc(F)c3c(c21)CCO3
InChIInChI=1S/C13H11FN2O2/c14-8-5-9-10(7-2-4-18-12(7)8)6-1-3-15-13(17)11(6)16-9/h5,16H,1-4H2,(H,15,17)
InChIKeyLIZIUHHEBTYWTM-UHFFFAOYSA-N
XLogP1.53
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one?
The IUPAC name of 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one (CID 58307562) is 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one.
What is the SMILES notation for 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one?
The canonical SMILES for 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one is O=C1NCCc2c1[nH]c1cc(F)c3c(c21)CCO3.
What is the InChIKey of 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one?
The InChIKey is LIZIUHHEBTYWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-8-5-9-10(7-2-4-18-12(7)8)6-1-3-15-13(17)11(6)16-9/h5,16H,1-4H2,(H,15,17).
What are the key properties of 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one?
7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one has a molecular weight of 246.24 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-oxa-10,13-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16)-tetraen-12-one is sourced from PubChem (CID 58307562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).