(2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane

C11H13F5O2Si — CID 87899999

IUPAC(2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane
SMILESCCOC(F)(OCC(F)F)[Si](F)(F)c1ccccc1
InChIInChI=1S/C11H13F5O2Si/c1-2-17-11(14,18-8-10(12)13)19(15,16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyNOJJSUZSQCPTDW-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.76
Rot. Bonds7

About (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane

(2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane (PubChem CID 87899999) has the molecular formula C11H13F5O2Si and a molecular weight of 300.30 g/mol. Its IUPAC name is (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane.

Molecular Properties

Compound Name(2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane
PubChem CID87899999
Molecular FormulaC11H13F5O2Si
Molecular Weight300.30 g/mol
Exact Mass300.06
IUPAC Name(2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane
SMILESCCOC(F)(OCC(F)F)[Si](F)(F)c1ccccc1
InChIInChI=1S/C11H13F5O2Si/c1-2-17-11(14,18-8-10(12)13)19(15,16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyNOJJSUZSQCPTDW-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.76
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': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane?
The IUPAC name of (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane (CID 87899999) is (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane.
What is the SMILES notation for (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane?
The canonical SMILES for (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane is CCOC(F)(OCC(F)F)[Si](F)(F)c1ccccc1.
What is the InChIKey of (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane?
The InChIKey is NOJJSUZSQCPTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5O2Si/c1-2-17-11(14,18-8-10(12)13)19(15,16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane?
(2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane has a molecular weight of 300.30 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoroethoxy-ethoxy-fluoromethyl)-difluoro-phenylsilane is sourced from PubChem (CID 87899999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).