3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane

C14H18F6OSi — CID 147456815

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane
SMILESC[Si](C)(CCCOC(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F6OSi/c1-22(2,11-7-4-3-5-8-11)10-6-9-21-12(13(15,16)17)14(18,19)20/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyDZDKXXWLOXUYTG-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.50
Rot. Bonds6

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane (PubChem CID 147456815) has the molecular formula C14H18F6OSi and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane
PubChem CID147456815
Molecular FormulaC14H18F6OSi
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane
SMILESC[Si](C)(CCCOC(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F6OSi/c1-22(2,11-7-4-3-5-8-11)10-6-9-21-12(13(15,16)17)14(18,19)20/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyDZDKXXWLOXUYTG-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethoxydimethylphenylsilane
CID 15770
Dimethyl-phenyl-(2,2,2-trifluoroethoxy)silane
CID 14917442
1-[Dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol
CID 155931070
1-[Dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone
CID 156693698
Ethoxymethyl-dimethyl-phenylsilane
CID 10987154
[Dimethyl(1-methylethoxy)silyl]benzene
CID 13398595
Silane, diphenylethoxy(1,1,1-trifluoroprop-2-yloxy)-
CID 91703876
Silane, diphenyldi(1,1,1-trifluoroprop-2-yloxy)-
CID 91718002
[(E)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]selanylbenzene
CID 10617475
[(Z)-2-ethoxy-1,1-difluoro-3-phenylprop-2-enyl]-trimethylsilane
CID 10989340
(3-Fluorophenyl)-dimethyl-propan-2-yloxysilane
CID 135084655
Dimethyl-propan-2-yloxy-[4-(trifluoromethyl)phenyl]silane
CID 135086451

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane (CID 147456815) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane is C[Si](C)(CCCOC(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane?
The InChIKey is DZDKXXWLOXUYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6OSi/c1-22(2,11-7-4-3-5-8-11)10-6-9-21-12(13(15,16)17)14(18,19)20/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane has a molecular weight of 344.37 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl-dimethyl-phenylsilane is sourced from PubChem (CID 147456815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).