(3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane

C11H16F2OSi — CID 530794

IUPAC(3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane
SMILESCC(C)[Si](C)(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2OSi/c1-8(2)15(3,4)14-11-6-9(12)5-10(13)7-11/h5-8H,1-4H3
InChIKeyCGQUJGRLTKTOLQ-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.96
Rot. Bonds3

About (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane

(3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane (PubChem CID 530794) has the molecular formula C11H16F2OSi and a molecular weight of 230.33 g/mol. Its IUPAC name is (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane.

Molecular Properties

Compound Name(3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane
PubChem CID530794
Molecular FormulaC11H16F2OSi
Molecular Weight230.33 g/mol
Exact Mass230.09
IUPAC Name(3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane
SMILESCC(C)[Si](C)(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2OSi/c1-8(2)15(3,4)14-11-6-9(12)5-10(13)7-11/h5-8H,1-4H3
InChIKeyCGQUJGRLTKTOLQ-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.96
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 (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane?
The IUPAC name of (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane (CID 530794) is (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane.
What is the SMILES notation for (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane?
The canonical SMILES for (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane is CC(C)[Si](C)(C)Oc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane?
The InChIKey is CGQUJGRLTKTOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2OSi/c1-8(2)15(3,4)14-11-6-9(12)5-10(13)7-11/h5-8H,1-4H3.
What are the key properties of (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane?
(3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane has a molecular weight of 230.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenoxy)-dimethyl-propan-2-ylsilane is sourced from PubChem (CID 530794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).