[acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate

C20H18F6O4Sn — CID 171763868

IUPAC[acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate
SMILESCC(=O)O[Sn](Cc1ccc(C(F)(F)F)cc1)(Cc1ccc(C(F)(F)F)cc1)OC(C)=O
InChIInChI=1S/2C8H6F3.2C2H4O2.Sn/c2*1-6-2-4-7(5-3-6)8(9,10)11;2*1-2(3)4;/h2*2-5H,1H2;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyORYCDGYWLDGEHU-UHFFFAOYSA-L
MW555.06 g/mol
LogP5.16
Rot. Bonds6

About [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate

[acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate (PubChem CID 171763868) has the molecular formula C20H18F6O4Sn and a molecular weight of 555.06 g/mol. Its IUPAC name is [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate.

Molecular Properties

Compound Name[acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate
PubChem CID171763868
Molecular FormulaC20H18F6O4Sn
Molecular Weight555.06 g/mol
Exact Mass556.01
IUPAC Name[acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate
SMILESCC(=O)O[Sn](Cc1ccc(C(F)(F)F)cc1)(Cc1ccc(C(F)(F)F)cc1)OC(C)=O
InChIInChI=1S/2C8H6F3.2C2H4O2.Sn/c2*1-6-2-4-7(5-3-6)8(9,10)11;2*1-2(3)4;/h2*2-5H,1H2;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyORYCDGYWLDGEHU-UHFFFAOYSA-L
XLogP5.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.06
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
[4-(trifluoromethyl)phenyl]methyl 2-aminobutanoate
CID 174480491
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
CID 136881006
CID 136881006
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79673463
3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 79202389
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
2-ethoxy-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 142389020

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate?
The IUPAC name of [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate (CID 171763868) is [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate.
What is the SMILES notation for [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate?
The canonical SMILES for [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate is CC(=O)O[Sn](Cc1ccc(C(F)(F)F)cc1)(Cc1ccc(C(F)(F)F)cc1)OC(C)=O.
What is the InChIKey of [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate?
The InChIKey is ORYCDGYWLDGEHU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H6F3.2C2H4O2.Sn/c2*1-6-2-4-7(5-3-6)8(9,10)11;2*1-2(3)4;/h2*2-5H,1H2;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate?
[acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate has a molecular weight of 555.06 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-bis[[4-(trifluoromethyl)phenyl]methyl]stannyl] acetate is sourced from PubChem (CID 171763868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).