1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc

C7H11F9O2SiZn — CID 87619953

IUPAC1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc
SMILESC[Si](C)(C)O.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Zn]
InChIInChI=1S/C4HF9O.C3H10OSi.Zn/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-5(2,3)4;/h14H;4H,1-3H3;
InChIKeyVYBSPGSIEGENST-UHFFFAOYSA-N
MW391.62 g/mol
LogP3.22
Rot. Bonds

About 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc (PubChem CID 87619953) has the molecular formula C7H11F9O2SiZn and a molecular weight of 391.62 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc
PubChem CID87619953
Molecular FormulaC7H11F9O2SiZn
Molecular Weight391.62 g/mol
Exact Mass389.97
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc
SMILESC[Si](C)(C)O.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Zn]
InChIInChI=1S/C4HF9O.C3H10OSi.Zn/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-5(2,3)4;/h14H;4H,1-3H3;
InChIKeyVYBSPGSIEGENST-UHFFFAOYSA-N
XLogP3.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.62
LogP ≤ 53.22
H-Bond Donors ≤ 52
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 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc (CID 87619953) is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc is C[Si](C)(C)O.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Zn].
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc?
The InChIKey is VYBSPGSIEGENST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O.C3H10OSi.Zn/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-5(2,3)4;/h14H;4H,1-3H3;.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc?
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc has a molecular weight of 391.62 g/mol, XLogP of 3.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc is sourced from PubChem (CID 87619953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).