(1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane

C13H17F5O3Si — CID 90174135

IUPAC(1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane
SMILESCC(C)OC(F)(OC(C)(F)CF)O[Si](F)(F)c1ccccc1
InChIInChI=1S/C13H17F5O3Si/c1-10(2)19-13(16,20-12(3,15)9-14)21-22(17,18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyWEMRLRZKAXWXQP-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.47
Rot. Bonds8

About (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane

(1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane (PubChem CID 90174135) has the molecular formula C13H17F5O3Si and a molecular weight of 344.35 g/mol. Its IUPAC name is (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane.

Molecular Properties

Compound Name(1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane
PubChem CID90174135
Molecular FormulaC13H17F5O3Si
Molecular Weight344.35 g/mol
Exact Mass344.09
IUPAC Name(1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane
SMILESCC(C)OC(F)(OC(C)(F)CF)O[Si](F)(F)c1ccccc1
InChIInChI=1S/C13H17F5O3Si/c1-10(2)19-13(16,20-12(3,15)9-14)21-22(17,18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyWEMRLRZKAXWXQP-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane?
The IUPAC name of (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane (CID 90174135) is (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane.
What is the SMILES notation for (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane?
The canonical SMILES for (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane is CC(C)OC(F)(OC(C)(F)CF)O[Si](F)(F)c1ccccc1.
What is the InChIKey of (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane?
The InChIKey is WEMRLRZKAXWXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5O3Si/c1-10(2)19-13(16,20-12(3,15)9-14)21-22(17,18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane?
(1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane has a molecular weight of 344.35 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-difluoropropan-2-yloxy-fluoro-propan-2-yloxymethoxy)-difluoro-phenylsilane is sourced from PubChem (CID 90174135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).