(3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane

C11H14F2OSi — CID 530798

IUPAC(3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2OSi/c1-4-5-15(2,3)14-11-7-9(12)6-10(13)8-11/h4,6-8H,1,5H2,2-3H3
InChIKeyPSQKIFHNJYMQLQ-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.73
Rot. Bonds4

About (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane

(3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane (PubChem CID 530798) has the molecular formula C11H14F2OSi and a molecular weight of 228.31 g/mol. Its IUPAC name is (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name(3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane
PubChem CID530798
Molecular FormulaC11H14F2OSi
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name(3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2OSi/c1-4-5-15(2,3)14-11-7-9(12)6-10(13)8-11/h4,6-8H,1,5H2,2-3H3
InChIKeyPSQKIFHNJYMQLQ-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane?
The IUPAC name of (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane (CID 530798) is (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane.
What is the SMILES notation for (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane?
The canonical SMILES for (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)Oc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane?
The InChIKey is PSQKIFHNJYMQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2OSi/c1-4-5-15(2,3)14-11-7-9(12)6-10(13)8-11/h4,6-8H,1,5H2,2-3H3.
What are the key properties of (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane?
(3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane has a molecular weight of 228.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenoxy)-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 530798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).