(2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one

C18H15FO2 — CID 11289044

IUPAC(2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one
SMILESO=C1CO[C@@H]2c3cc(F)ccc3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C18H15FO2/c19-13-6-5-12-7-11-3-1-2-4-15(11)17-9-14(20)10-21-18(17)16(12)8-13/h1-6,8,17-18H,7,9-10H2/t17-,18-/m1/s1
InChIKeyJLPWPXLOKGTLRE-QZTJIDSGSA-N
MW282.31 g/mol
LogP3.54
Rot. Bonds

About (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one

(2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one (PubChem CID 11289044) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one.

Molecular Properties

Compound Name(2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one
PubChem CID11289044
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name(2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one
SMILESO=C1CO[C@@H]2c3cc(F)ccc3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C18H15FO2/c19-13-6-5-12-7-11-3-1-2-4-15(11)17-9-14(20)10-21-18(17)16(12)8-13/h1-6,8,17-18H,7,9-10H2/t17-,18-/m1/s1
InChIKeyJLPWPXLOKGTLRE-QZTJIDSGSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one?
The IUPAC name of (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one (CID 11289044) is (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one.
What is the SMILES notation for (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one?
The canonical SMILES for (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one is O=C1CO[C@@H]2c3cc(F)ccc3Cc3ccccc3[C@H]2C1.
What is the InChIKey of (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one?
The InChIKey is JLPWPXLOKGTLRE-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H15FO2/c19-13-6-5-12-7-11-3-1-2-4-15(11)17-9-14(20)10-21-18(17)16(12)8-13/h1-6,8,17-18H,7,9-10H2/t17-,18-/m1/s1.
What are the key properties of (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one?
(2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one has a molecular weight of 282.31 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one is sourced from PubChem (CID 11289044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).