[2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane

C10H12F4OSi — CID 91716947

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C10H12F4OSi/c1-16(2,3)15-8-6-4-5-7(9(8)11)10(12,13)14/h4-6H,1-3H3
InChIKeyAGHRGYJANRIOCR-UHFFFAOYSA-N
MW252.28 g/mol
LogP4.06
Rot. Bonds2

About [2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane

[2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane (PubChem CID 91716947) has the molecular formula C10H12F4OSi and a molecular weight of 252.28 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane
PubChem CID91716947
Molecular FormulaC10H12F4OSi
Molecular Weight252.28 g/mol
Exact Mass252.06
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C10H12F4OSi/c1-16(2,3)15-8-6-4-5-7(9(8)11)10(12,13)14/h4-6H,1-3H3
InChIKeyAGHRGYJANRIOCR-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-3-(trifluoromethyl)phenoxy]-trimethylsilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane (CID 91716947) is [2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane is C[Si](C)(C)Oc1cccc(C(F)(F)F)c1F.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane?
The InChIKey is AGHRGYJANRIOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4OSi/c1-16(2,3)15-8-6-4-5-7(9(8)11)10(12,13)14/h4-6H,1-3H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane has a molecular weight of 252.28 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenoxy]-trimethylsilane is sourced from PubChem (CID 91716947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).