2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane

C16H25BrClFOSi — CID 175740954

IUPAC2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(F)cc1CCl)(C(C)C)C(C)(C)Br
InChIInChI=1S/C16H25BrClFOSi/c1-11(2)21(12(3)4,16(5,6)17)20-15-8-7-14(19)9-13(15)10-18/h7-9,11-12H,10H2,1-6H3
InChIKeyLMCAYEPFOUHFDI-UHFFFAOYSA-N
MW395.82 g/mol
LogP6.42
Rot. Bonds6

About 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane

2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane (PubChem CID 175740954) has the molecular formula C16H25BrClFOSi and a molecular weight of 395.82 g/mol. Its IUPAC name is 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane.

Molecular Properties

Compound Name2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane
PubChem CID175740954
Molecular FormulaC16H25BrClFOSi
Molecular Weight395.82 g/mol
Exact Mass394.05
IUPAC Name2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(F)cc1CCl)(C(C)C)C(C)(C)Br
InChIInChI=1S/C16H25BrClFOSi/c1-11(2)21(12(3)4,16(5,6)17)20-15-8-7-14(19)9-13(15)10-18/h7-9,11-12H,10H2,1-6H3
InChIKeyLMCAYEPFOUHFDI-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane?
The IUPAC name of 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane (CID 175740954) is 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane.
What is the SMILES notation for 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane?
The canonical SMILES for 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane is CC(C)[Si](Oc1ccc(F)cc1CCl)(C(C)C)C(C)(C)Br.
What is the InChIKey of 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane?
The InChIKey is LMCAYEPFOUHFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrClFOSi/c1-11(2)21(12(3)4,16(5,6)17)20-15-8-7-14(19)9-13(15)10-18/h7-9,11-12H,10H2,1-6H3.
What are the key properties of 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane?
2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane has a molecular weight of 395.82 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopropan-2-yl-[2-(chloromethyl)-4-fluorophenoxy]-di(propan-2-yl)silane is sourced from PubChem (CID 175740954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).