(1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane

C17H23FO2Te — CID 15320504

IUPAC(1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane
SMILESCOc1ccc([Te]2(F)C[C@]34CC[C@H](C[C@H]3O2)C4(C)C)cc1
InChIInChI=1S/C17H23FO2Te/c1-16(2)12-8-9-17(16)11-21(18,20-15(17)10-12)14-6-4-13(19-3)5-7-14/h4-7,12,15H,8-11H2,1-3H3/t12-,15-,17-/m1/s1
InChIKeyVEXJXMFWGCNYHG-SRCQZFHVSA-N
MW405.97 g/mol
LogP3.54
Rot. Bonds2

About (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane

(1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane (PubChem CID 15320504) has the molecular formula C17H23FO2Te and a molecular weight of 405.97 g/mol. Its IUPAC name is (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane.

Molecular Properties

Compound Name(1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane
PubChem CID15320504
Molecular FormulaC17H23FO2Te
Molecular Weight405.97 g/mol
Exact Mass408.07
IUPAC Name(1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane
SMILESCOc1ccc([Te]2(F)C[C@]34CC[C@H](C[C@H]3O2)C4(C)C)cc1
InChIInChI=1S/C17H23FO2Te/c1-16(2)12-8-9-17(16)11-21(18,20-15(17)10-12)14-6-4-13(19-3)5-7-14/h4-7,12,15H,8-11H2,1-3H3/t12-,15-,17-/m1/s1
InChIKeyVEXJXMFWGCNYHG-SRCQZFHVSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane?
The IUPAC name of (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane (CID 15320504) is (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane.
What is the SMILES notation for (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane?
The canonical SMILES for (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane is COc1ccc([Te]2(F)C[C@]34CC[C@H](C[C@H]3O2)C4(C)C)cc1.
What is the InChIKey of (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane?
The InChIKey is VEXJXMFWGCNYHG-SRCQZFHVSA-N. The full InChI is InChI=1S/C17H23FO2Te/c1-16(2)12-8-9-17(16)11-21(18,20-15(17)10-12)14-6-4-13(19-3)5-7-14/h4-7,12,15H,8-11H2,1-3H3/t12-,15-,17-/m1/s1.
What are the key properties of (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane?
(1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane has a molecular weight of 405.97 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane is sourced from PubChem (CID 15320504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).