(1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane

C5H9BrClF3Si — CID 175708703

IUPAC(1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane
SMILESC[Si](C)(C)C(Cl)(Br)C(F)(F)F
InChIInChI=1S/C5H9BrClF3Si/c1-11(2,3)4(6,7)5(8,9)10/h1-3H3
InChIKeyHNSNHYUXPOLDEQ-UHFFFAOYSA-N
MW269.56 g/mol
LogP3.76
Rot. Bonds1

About (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane

(1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane (PubChem CID 175708703) has the molecular formula C5H9BrClF3Si and a molecular weight of 269.56 g/mol. Its IUPAC name is (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane.

Molecular Properties

Compound Name(1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane
PubChem CID175708703
Molecular FormulaC5H9BrClF3Si
Molecular Weight269.56 g/mol
Exact Mass267.93
IUPAC Name(1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane
SMILESC[Si](C)(C)C(Cl)(Br)C(F)(F)F
InChIInChI=1S/C5H9BrClF3Si/c1-11(2,3)4(6,7)5(8,9)10/h1-3H3
InChIKeyHNSNHYUXPOLDEQ-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.56
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane?
The IUPAC name of (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane (CID 175708703) is (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane.
What is the SMILES notation for (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane?
The canonical SMILES for (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane is C[Si](C)(C)C(Cl)(Br)C(F)(F)F.
What is the InChIKey of (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane?
The InChIKey is HNSNHYUXPOLDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrClF3Si/c1-11(2,3)4(6,7)5(8,9)10/h1-3H3.
What are the key properties of (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane?
(1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane has a molecular weight of 269.56 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-1-chloro-2,2,2-trifluoroethyl)-trimethylsilane is sourced from PubChem (CID 175708703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).