[1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane

C13H17F5O3Si — CID 154436257

IUPAC[1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane
SMILESCC(C)OC(O[SiH2]c1ccccc1)OC(F)(CF)C(F)(F)F
InChIInChI=1S/C13H17F5O3Si/c1-9(2)19-11(20-12(15,8-14)13(16,17)18)21-22-10-6-4-3-5-7-10/h3-7,9,11H,8,22H2,1-2H3
InChIKeySVJZLICQRABOJK-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.34
Rot. Bonds8

About [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane

[1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane (PubChem CID 154436257) has the molecular formula C13H17F5O3Si and a molecular weight of 344.35 g/mol. Its IUPAC name is [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane.

Molecular Properties

Compound Name[1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane
PubChem CID154436257
Molecular FormulaC13H17F5O3Si
Molecular Weight344.35 g/mol
Exact Mass344.09
IUPAC Name[1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane
SMILESCC(C)OC(O[SiH2]c1ccccc1)OC(F)(CF)C(F)(F)F
InChIInChI=1S/C13H17F5O3Si/c1-9(2)19-11(20-12(15,8-14)13(16,17)18)21-22-10-6-4-3-5-7-10/h3-7,9,11H,8,22H2,1-2H3
InChIKeySVJZLICQRABOJK-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
CID 53432346
(Diethoxymethyl)phenylsilane
CID 71431033
(2,2-Difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane
CID 87899999
1,1,1,2,3-Pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane
CID 87975325
Diethoxy-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-phenylsilane
CID 89647721
CID 90170572
CID 90170572
CID 90170606
CID 90170606
CID 90170636
CID 90170636
CID 90170787
CID 90170787
CID 90171036
CID 90171036
(3,4-Difluorophenyl)-dimethoxy-propan-2-yloxysilane
CID 90171232
Hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane
CID 90171305

Frequently Asked Questions

What is the IUPAC name of [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane?
The IUPAC name of [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane (CID 154436257) is [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane.
What is the SMILES notation for [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane?
The canonical SMILES for [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane is CC(C)OC(O[SiH2]c1ccccc1)OC(F)(CF)C(F)(F)F.
What is the InChIKey of [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane?
The InChIKey is SVJZLICQRABOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5O3Si/c1-9(2)19-11(20-12(15,8-14)13(16,17)18)21-22-10-6-4-3-5-7-10/h3-7,9,11H,8,22H2,1-2H3.
What are the key properties of [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane?
[1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane has a molecular weight of 344.35 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,2,3-pentafluoropropan-2-yloxy(propan-2-yloxy)methoxy]-phenylsilane is sourced from PubChem (CID 154436257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).