[2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane

C17H28F2O2Si — CID 141184114

IUPAC[2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc(OCCF)ccc1F)(C(C)C)C(C)C
InChIInChI=1S/C17H28F2O2Si/c1-12(2)22(13(3)4,14(5)6)21-17-11-15(20-10-9-18)7-8-16(17)19/h7-8,11-14H,9-10H2,1-6H3
InChIKeyLAAONUQICDDQRP-UHFFFAOYSA-N
MW330.49 g/mol
LogP5.73
Rot. Bonds8

About [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane

[2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane (PubChem CID 141184114) has the molecular formula C17H28F2O2Si and a molecular weight of 330.49 g/mol. Its IUPAC name is [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane
PubChem CID141184114
Molecular FormulaC17H28F2O2Si
Molecular Weight330.49 g/mol
Exact Mass330.18
IUPAC Name[2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc(OCCF)ccc1F)(C(C)C)C(C)C
InChIInChI=1S/C17H28F2O2Si/c1-12(2)22(13(3)4,14(5)6)21-17-11-15(20-10-9-18)7-8-16(17)19/h7-8,11-14H,9-10H2,1-6H3
InChIKeyLAAONUQICDDQRP-UHFFFAOYSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane (CID 141184114) is [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane is CC(C)[Si](Oc1cc(OCCF)ccc1F)(C(C)C)C(C)C.
What is the InChIKey of [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane?
The InChIKey is LAAONUQICDDQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2O2Si/c1-12(2)22(13(3)4,14(5)6)21-17-11-15(20-10-9-18)7-8-16(17)19/h7-8,11-14H,9-10H2,1-6H3.
What are the key properties of [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane?
[2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane has a molecular weight of 330.49 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(2-fluoroethoxy)phenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 141184114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).