6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione

C17H11BrFNO4 — CID 59240805

IUPAC6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
SMILESCC1(C)c2cc(F)ccc2-n2c1cc1oc(=O)c(Br)c(O)c1c2=O
InChIInChI=1S/C17H11BrFNO4/c1-17(2)8-5-7(19)3-4-9(8)20-11(17)6-10-12(15(20)22)14(21)13(18)16(23)24-10/h3-6,21H,1-2H3
InChIKeyWQAGBQKKMNLAKI-UHFFFAOYSA-N
MW392.18 g/mol
LogP3.19
Rot. Bonds

About 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione

6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione (PubChem CID 59240805) has the molecular formula C17H11BrFNO4 and a molecular weight of 392.18 g/mol. Its IUPAC name is 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione.

Molecular Properties

Compound Name6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
PubChem CID59240805
Molecular FormulaC17H11BrFNO4
Molecular Weight392.18 g/mol
Exact Mass390.99
IUPAC Name6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
SMILESCC1(C)c2cc(F)ccc2-n2c1cc1oc(=O)c(Br)c(O)c1c2=O
InChIInChI=1S/C17H11BrFNO4/c1-17(2)8-5-7(19)3-4-9(8)20-11(17)6-10-12(15(20)22)14(21)13(18)16(23)24-10/h3-6,21H,1-2H3
InChIKeyWQAGBQKKMNLAKI-UHFFFAOYSA-N
XLogP3.19
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione?
The IUPAC name of 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione (CID 59240805) is 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione.
What is the SMILES notation for 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione?
The canonical SMILES for 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione is CC1(C)c2cc(F)ccc2-n2c1cc1oc(=O)c(Br)c(O)c1c2=O.
What is the InChIKey of 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione?
The InChIKey is WQAGBQKKMNLAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFNO4/c1-17(2)8-5-7(19)3-4-9(8)20-11(17)6-10-12(15(20)22)14(21)13(18)16(23)24-10/h3-6,21H,1-2H3.
What are the key properties of 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione?
6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione has a molecular weight of 392.18 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione is sourced from PubChem (CID 59240805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).