2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C20H16F12O2Sn — CID 15340033

IUPAC2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C[Sn](CC(O)(C(F)(F)F)C(F)(F)F)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C6H5.2C4H3F6O.Sn/c2*1-2-4-6-5-3-1;2*1-2(11,3(5,6)7)4(8,9)10;/h2*1-5H;2*11H,1H2;
InChIKeyUUOOLZOASJCRBW-UHFFFAOYSA-N
MW635.03 g/mol
LogP4.96
Rot. Bonds6

About 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 15340033) has the molecular formula C20H16F12O2Sn and a molecular weight of 635.03 g/mol. Its IUPAC name is 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID15340033
Molecular FormulaC20H16F12O2Sn
Molecular Weight635.03 g/mol
Exact Mass636.00
IUPAC Name2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C[Sn](CC(O)(C(F)(F)F)C(F)(F)F)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C6H5.2C4H3F6O.Sn/c2*1-2-4-6-5-3-1;2*1-2(11,3(5,6)7)4(8,9)10;/h2*1-5H;2*11H,1H2;
InChIKeyUUOOLZOASJCRBW-UHFFFAOYSA-N
XLogP4.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.03
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 15340033) is 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C[Sn](CC(O)(C(F)(F)F)C(F)(F)F)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is UUOOLZOASJCRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2C4H3F6O.Sn/c2*1-2-4-6-5-3-1;2*1-2(11,3(5,6)7)4(8,9)10;/h2*1-5H;2*11H,1H2;.
What are the key properties of 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 635.03 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 15340033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).