(3,4-difluorophenyl)-diethoxy-methylsilane

C11H16F2O2Si — CID 90172653

IUPAC(3,4-difluorophenyl)-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2O2Si/c1-4-14-16(3,15-5-2)9-6-7-10(12)11(13)8-9/h6-8H,4-5H2,1-3H3
InChIKeySKIORIOJQZIAHW-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.32
Rot. Bonds5

About (3,4-difluorophenyl)-diethoxy-methylsilane

(3,4-difluorophenyl)-diethoxy-methylsilane (PubChem CID 90172653) has the molecular formula C11H16F2O2Si and a molecular weight of 246.33 g/mol. Its IUPAC name is (3,4-difluorophenyl)-diethoxy-methylsilane.

Molecular Properties

Compound Name(3,4-difluorophenyl)-diethoxy-methylsilane
PubChem CID90172653
Molecular FormulaC11H16F2O2Si
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name(3,4-difluorophenyl)-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2O2Si/c1-4-14-16(3,15-5-2)9-6-7-10(12)11(13)8-9/h6-8H,4-5H2,1-3H3
InChIKeySKIORIOJQZIAHW-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,4-difluorophenyl)-dimethoxy-methylsilane
CID 90174636
[4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane
CID 90171356
diethoxy-methyl-thianthren-2-ylsilane
CID 123874684
3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane
CID 90172780
triethoxy-(4-fluoro-3-methoxyphenyl)silane
CID 146005006
[4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane
CID 14664726
(4-chlorophenyl)-methyl-dipropoxysilane
CID 151479399
(3-butyl-4-fluorophenyl)-trimethylsilane
CID 15292812
tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide
CID 139766252
ethoxy-[4-[ethoxy-di(propan-2-yl)silyl]phenyl]-di(propan-2-yl)silane
CID 66773212
(4-dimethylsilylphenyl)-ethoxy-dimethylsilane
CID 175577251
ethoxy-methyl-(4-methylphenyl)-trimethylsilylsilane
CID 139631947

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-diethoxy-methylsilane?
The IUPAC name of (3,4-difluorophenyl)-diethoxy-methylsilane (CID 90172653) is (3,4-difluorophenyl)-diethoxy-methylsilane.
What is the SMILES notation for (3,4-difluorophenyl)-diethoxy-methylsilane?
The canonical SMILES for (3,4-difluorophenyl)-diethoxy-methylsilane is CCO[Si](C)(OCC)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-diethoxy-methylsilane?
The InChIKey is SKIORIOJQZIAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O2Si/c1-4-14-16(3,15-5-2)9-6-7-10(12)11(13)8-9/h6-8H,4-5H2,1-3H3.
What are the key properties of (3,4-difluorophenyl)-diethoxy-methylsilane?
(3,4-difluorophenyl)-diethoxy-methylsilane has a molecular weight of 246.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-diethoxy-methylsilane is sourced from PubChem (CID 90172653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).