[ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane

C11H13F5O2Si — CID 154153341

IUPAC[ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane
SMILESCCOC(OC(F)(F)C(F)(F)F)[SiH2]c1ccccc1
InChIInChI=1S/C11H13F5O2Si/c1-2-17-9(18-11(15,16)10(12,13)14)19-8-6-4-3-5-7-8/h3-7,9H,2,19H2,1H3
InChIKeyNHFJPUFAHPPFIB-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.97
Rot. Bonds6

About [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane

[ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane (PubChem CID 154153341) has the molecular formula C11H13F5O2Si and a molecular weight of 300.30 g/mol. Its IUPAC name is [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane.

Molecular Properties

Compound Name[ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane
PubChem CID154153341
Molecular FormulaC11H13F5O2Si
Molecular Weight300.30 g/mol
Exact Mass300.06
IUPAC Name[ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane
SMILESCCOC(OC(F)(F)C(F)(F)F)[SiH2]c1ccccc1
InChIInChI=1S/C11H13F5O2Si/c1-2-17-9(18-11(15,16)10(12,13)14)19-8-6-4-3-5-7-8/h3-7,9H,2,19H2,1H3
InChIKeyNHFJPUFAHPPFIB-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-phenyl-(2,2,2-trifluoroethoxy)silane
CID 14917442
Diethoxymethyl[m-(trifluoromethyl)phenyl]silane
CID 129810204
CID 19366080
CID 19366080
CID 23105603
CID 23105603
Diethoxy-phenyl-(3,3,3-trifluoropropyl)silane
CID 23498268
Diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
CID 53432346
Dimethoxymethyl(phenyl)silane
CID 70701236
(Diethoxymethyl)phenylsilane
CID 71431033
Ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane
CID 87484330
(2,2-Difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane
CID 87899999
Ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane
CID 87972561
Ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
CID 87972914

Frequently Asked Questions

What is the IUPAC name of [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane?
The IUPAC name of [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane (CID 154153341) is [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane.
What is the SMILES notation for [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane?
The canonical SMILES for [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane is CCOC(OC(F)(F)C(F)(F)F)[SiH2]c1ccccc1.
What is the InChIKey of [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane?
The InChIKey is NHFJPUFAHPPFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5O2Si/c1-2-17-9(18-11(15,16)10(12,13)14)19-8-6-4-3-5-7-8/h3-7,9H,2,19H2,1H3.
What are the key properties of [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane?
[ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane has a molecular weight of 300.30 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(1,1,2,2,2-pentafluoroethoxy)methyl]-phenylsilane is sourced from PubChem (CID 154153341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).