(5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane

C13H22BrFSSi — CID 177125888

IUPAC(5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1sc(Br)cc1F)(C(C)C)C(C)C
InChIInChI=1S/C13H22BrFSSi/c1-8(2)17(9(3)4,10(5)6)13-11(15)7-12(14)16-13/h7-10H,1-6H3
InChIKeyNOQJDHGIANYAEI-UHFFFAOYSA-N
MW337.37 g/mol
LogP5.54
Rot. Bonds4

About (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane

(5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane (PubChem CID 177125888) has the molecular formula C13H22BrFSSi and a molecular weight of 337.37 g/mol. Its IUPAC name is (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane
PubChem CID177125888
Molecular FormulaC13H22BrFSSi
Molecular Weight337.37 g/mol
Exact Mass336.04
IUPAC Name(5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1sc(Br)cc1F)(C(C)C)C(C)C
InChIInChI=1S/C13H22BrFSSi/c1-8(2)17(9(3)4,10(5)6)13-11(15)7-12(14)16-13/h7-10H,1-6H3
InChIKeyNOQJDHGIANYAEI-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.37
LogP ≤ 55.54
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 (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane?
The IUPAC name of (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane (CID 177125888) is (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane is CC(C)[Si](c1sc(Br)cc1F)(C(C)C)C(C)C.
What is the InChIKey of (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane?
The InChIKey is NOQJDHGIANYAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrFSSi/c1-8(2)17(9(3)4,10(5)6)13-11(15)7-12(14)16-13/h7-10H,1-6H3.
What are the key properties of (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane?
(5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane has a molecular weight of 337.37 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-fluorothiophen-2-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 177125888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).