(8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

C20H16FNO5 — CID 170732223

IUPAC(8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESO=C1OCC2=C1[C@H](c1cccc(F)c1)c1cc3c(cc1N2CCO)OCO3
InChIInChI=1S/C20H16FNO5/c21-12-3-1-2-11(6-12)18-13-7-16-17(27-10-26-16)8-14(13)22(4-5-23)15-9-25-20(24)19(15)18/h1-3,6-8,18,23H,4-5,9-10H2/t18-/m1/s1
InChIKeyWVJVLSHRAJOEEW-GOSISDBHSA-N
MW369.35 g/mol
LogP2.31
Rot. Bonds3

About (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

(8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (PubChem CID 170732223) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.

Molecular Properties

Compound Name(8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
PubChem CID170732223
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name(8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESO=C1OCC2=C1[C@H](c1cccc(F)c1)c1cc3c(cc1N2CCO)OCO3
InChIInChI=1S/C20H16FNO5/c21-12-3-1-2-11(6-12)18-13-7-16-17(27-10-26-16)8-14(13)22(4-5-23)15-9-25-20(24)19(15)18/h1-3,6-8,18,23H,4-5,9-10H2/t18-/m1/s1
InChIKeyWVJVLSHRAJOEEW-GOSISDBHSA-N
XLogP2.31
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The IUPAC name of (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (CID 170732223) is (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.
What is the SMILES notation for (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The canonical SMILES for (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is O=C1OCC2=C1[C@H](c1cccc(F)c1)c1cc3c(cc1N2CCO)OCO3.
What is the InChIKey of (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The InChIKey is WVJVLSHRAJOEEW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16FNO5/c21-12-3-1-2-11(6-12)18-13-7-16-17(27-10-26-16)8-14(13)22(4-5-23)15-9-25-20(24)19(15)18/h1-3,6-8,18,23H,4-5,9-10H2/t18-/m1/s1.
What are the key properties of (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
(8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one has a molecular weight of 369.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is sourced from PubChem (CID 170732223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).