propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane

C12H22F6O4Si — CID 91369761

IUPACpropyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane
SMILESCCCOC(=O)OCC(O)(C(F)(F)F)C(F)(F)F.C[Si](C)(C)C
InChIInChI=1S/C8H10F6O4.C4H12Si/c1-2-3-17-5(15)18-4-6(16,7(9,10)11)8(12,13)14;1-5(2,3)4/h16H,2-4H2,1H3;1-4H3
InChIKeyXHZMWICFZSPQAC-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.36
Rot. Bonds4

About propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane

propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane (PubChem CID 91369761) has the molecular formula C12H22F6O4Si and a molecular weight of 372.38 g/mol. Its IUPAC name is propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane.

Molecular Properties

Compound Namepropyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane
PubChem CID91369761
Molecular FormulaC12H22F6O4Si
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Namepropyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane
SMILESCCCOC(=O)OCC(O)(C(F)(F)F)C(F)(F)F.C[Si](C)(C)C
InChIInChI=1S/C8H10F6O4.C4H12Si/c1-2-3-17-5(15)18-4-6(16,7(9,10)11)8(12,13)14;1-5(2,3)4/h16H,2-4H2,1H3;1-4H3
InChIKeyXHZMWICFZSPQAC-UHFFFAOYSA-N
XLogP4.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate
CID 99769633
(3-hydroxy-2,2-dimethylpropyl) propyl carbonate
CID 18991113
3,3,4,4,5,5,6,6,6-nonafluorohexyl propyl carbonate
CID 99769637
propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate
CID 162162054
chloromethyl propyl carbonate
CID 22595330
butyl 2,2,3,4,4,4-hexafluorobutyl carbonate
CID 112758192
[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] 2,3-diiodo-2-methylpropanoate
CID 154488634
butyl 2,2,2-trichloroethyl carbonate
CID 6420663
cyclohexa-2,5-diene-1,4-dione;dipropyl carbonate
CID 174383205
propyl 2,2-difluorobutanoate
CID 88537819
propyl carbamate;dihydrochloride
CID 87576214
dipropyl carbonate;dodecan-1-ol
CID 174718706

Frequently Asked Questions

What is the IUPAC name of propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane?
The IUPAC name of propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane (CID 91369761) is propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane.
What is the SMILES notation for propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane?
The canonical SMILES for propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane is CCCOC(=O)OCC(O)(C(F)(F)F)C(F)(F)F.C[Si](C)(C)C.
What is the InChIKey of propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane?
The InChIKey is XHZMWICFZSPQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O4.C4H12Si/c1-2-3-17-5(15)18-4-6(16,7(9,10)11)8(12,13)14;1-5(2,3)4/h16H,2-4H2,1H3;1-4H3.
What are the key properties of propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane?
propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane has a molecular weight of 372.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane is sourced from PubChem (CID 91369761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).