4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile

C10H3BrF3NO — CID 138550685

IUPAC4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile
SMILESN#Cc1cc(Br)c2cc(C(F)(F)F)oc2c1
InChIInChI=1S/C10H3BrF3NO/c11-7-1-5(4-15)2-8-6(7)3-9(16-8)10(12,13)14/h1-3H
InChIKeyPQSXUNXXEZLYOZ-UHFFFAOYSA-N
MW290.04 g/mol
LogP4.09
Rot. Bonds

About 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile

4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile (PubChem CID 138550685) has the molecular formula C10H3BrF3NO and a molecular weight of 290.04 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile
PubChem CID138550685
Molecular FormulaC10H3BrF3NO
Molecular Weight290.04 g/mol
Exact Mass288.94
IUPAC Name4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile
SMILESN#Cc1cc(Br)c2cc(C(F)(F)F)oc2c1
InChIInChI=1S/C10H3BrF3NO/c11-7-1-5(4-15)2-8-6(7)3-9(16-8)10(12,13)14/h1-3H
InChIKeyPQSXUNXXEZLYOZ-UHFFFAOYSA-N
XLogP4.09
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.04
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile?
The IUPAC name of 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile (CID 138550685) is 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile is N#Cc1cc(Br)c2cc(C(F)(F)F)oc2c1.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile?
The InChIKey is PQSXUNXXEZLYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrF3NO/c11-7-1-5(4-15)2-8-6(7)3-9(16-8)10(12,13)14/h1-3H.
What are the key properties of 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile?
4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile has a molecular weight of 290.04 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethyl)-1-benzofuran-6-carbonitrile is sourced from PubChem (CID 138550685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).