di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane

C12H22F6O2Si — CID 87976219

IUPACdi(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane
SMILESCC(C)O[Si](CCC(F)(F)F)(CCC(F)(F)F)OC(C)C
InChIInChI=1S/C12H22F6O2Si/c1-9(2)19-21(20-10(3)4,7-5-11(13,14)15)8-6-12(16,17)18/h9-10H,5-8H2,1-4H3
InChIKeySQHIHYZHDVBFOM-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.18
Rot. Bonds8

About di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane

di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane (PubChem CID 87976219) has the molecular formula C12H22F6O2Si and a molecular weight of 340.38 g/mol. Its IUPAC name is di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedi(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane
PubChem CID87976219
Molecular FormulaC12H22F6O2Si
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Namedi(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane
SMILESCC(C)O[Si](CCC(F)(F)F)(CCC(F)(F)F)OC(C)C
InChIInChI=1S/C12H22F6O2Si/c1-9(2)19-21(20-10(3)4,7-5-11(13,14)15)8-6-12(16,17)18/h9-10H,5-8H2,1-4H3
InChIKeySQHIHYZHDVBFOM-UHFFFAOYSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Triethoxy(3,3,3-trifluoropropyl)silane
CID 13222391
Ethoxydimethyl (3,3,4,4,4-pentafluorobutyl) silane
CID 59112324
[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy](trimethyl)silane
CID 272694
Diethoxy(methyl)(3,3,3-trifluoropropyl)silane
CID 14007317
tert-butyl-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-yl]oxy-dimethylsilane
CID 10893196
tert-Butyl((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)dimethylsilane
CID 91697407
Methyl(3,3,3-trifluoropropyl)bis(2,2,2-trifluoroethoxy)silane
CID 129814781
Methyl(2,2,2-trifluoro-1-trifluoromethylethoxymethyl)bis(2,2,2-trifluoro-1-trifluoro-methylethoxy)silane
CID 129880002
tert-Butyldimethyl(2,2,3,3,3-pentafluoropropoxy)silane
CID 91697432
Silane, ethoxytris(3,3,3-trifluoropropyl)-
CID 3014011
Diethoxy-methyl-(1,1,1-trifluoropropan-2-yl)silane
CID 13222402
Tripropoxy(3,3,3-trifluoropropyl)silane
CID 18519534

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane?
The IUPAC name of di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane (CID 87976219) is di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane?
The canonical SMILES for di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane is CC(C)O[Si](CCC(F)(F)F)(CCC(F)(F)F)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane?
The InChIKey is SQHIHYZHDVBFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F6O2Si/c1-9(2)19-21(20-10(3)4,7-5-11(13,14)15)8-6-12(16,17)18/h9-10H,5-8H2,1-4H3.
What are the key properties of di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane?
di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane has a molecular weight of 340.38 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)-bis(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 87976219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).