[(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane

C23H28FNO2Sn — CID 70210246

IUPAC[(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane
SMILESC[Sn](C)(C)C1=CC2(COC1)OC[C@H](c1ccc(F)cc1)N2Cc1ccccc1
InChIInChI=1S/C20H19FNO2.3CH3.Sn/c21-18-9-7-17(8-10-18)19-14-24-20(11-4-12-23-15-20)22(19)13-16-5-2-1-3-6-16;;;;/h1-3,5-11,19H,12-15H2;3*1H3;/t19-,20?;;;;/m1..../s1
InChIKeyVUWYPMWWQLVJPB-BALUHYQRSA-N
MW488.19 g/mol
LogP4.93
Rot. Bonds4

About [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane

[(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane (PubChem CID 70210246) has the molecular formula C23H28FNO2Sn and a molecular weight of 488.19 g/mol. Its IUPAC name is [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane.

Molecular Properties

Compound Name[(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane
PubChem CID70210246
Molecular FormulaC23H28FNO2Sn
Molecular Weight488.19 g/mol
Exact Mass489.11
IUPAC Name[(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane
SMILESC[Sn](C)(C)C1=CC2(COC1)OC[C@H](c1ccc(F)cc1)N2Cc1ccccc1
InChIInChI=1S/C20H19FNO2.3CH3.Sn/c21-18-9-7-17(8-10-18)19-14-24-20(11-4-12-23-15-20)22(19)13-16-5-2-1-3-6-16;;;;/h1-3,5-11,19H,12-15H2;3*1H3;/t19-,20?;;;;/m1..../s1
InChIKeyVUWYPMWWQLVJPB-BALUHYQRSA-N
XLogP4.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.19
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane?
The IUPAC name of [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane (CID 70210246) is [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane.
What is the SMILES notation for [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane?
The canonical SMILES for [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane is C[Sn](C)(C)C1=CC2(COC1)OC[C@H](c1ccc(F)cc1)N2Cc1ccccc1.
What is the InChIKey of [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane?
The InChIKey is VUWYPMWWQLVJPB-BALUHYQRSA-N. The full InChI is InChI=1S/C20H19FNO2.3CH3.Sn/c21-18-9-7-17(8-10-18)19-14-24-20(11-4-12-23-15-20)22(19)13-16-5-2-1-3-6-16;;;;/h1-3,5-11,19H,12-15H2;3*1H3;/t19-,20?;;;;/m1..../s1.
What are the key properties of [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane?
[(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane has a molecular weight of 488.19 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-benzyl-3-(4-fluorophenyl)-1,9-dioxa-4-azaspiro[4.5]dec-6-en-7-yl]-trimethylstannane is sourced from PubChem (CID 70210246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).