2-(4-bromothiophen-2-yl)-2-methylpropanenitrile

C8H8BrNS — CID 83711404

IUPAC2-(4-bromothiophen-2-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cc(Br)cs1
InChIInChI=1S/C8H8BrNS/c1-8(2,5-10)7-3-6(9)4-11-7/h3-4H,1-2H3
InChIKeyHGGODRWWJAQQKR-UHFFFAOYSA-N
MW230.13 g/mol
LogP3.31
Rot. Bonds1

About 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile

2-(4-bromothiophen-2-yl)-2-methylpropanenitrile (PubChem CID 83711404) has the molecular formula C8H8BrNS and a molecular weight of 230.13 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-methylpropanenitrile
PubChem CID83711404
Molecular FormulaC8H8BrNS
Molecular Weight230.13 g/mol
Exact Mass228.96
IUPAC Name2-(4-bromothiophen-2-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cc(Br)cs1
InChIInChI=1S/C8H8BrNS/c1-8(2,5-10)7-3-6(9)4-11-7/h3-4H,1-2H3
InChIKeyHGGODRWWJAQQKR-UHFFFAOYSA-N
XLogP3.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile (CID 83711404) is 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile is CC(C)(C#N)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile?
The InChIKey is HGGODRWWJAQQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNS/c1-8(2,5-10)7-3-6(9)4-11-7/h3-4H,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile?
2-(4-bromothiophen-2-yl)-2-methylpropanenitrile has a molecular weight of 230.13 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 83711404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).