3-(trifluoromethyl)-1-benzofuran-7-carbonitrile

C10H4F3NO — CID 166609327

IUPAC3-(trifluoromethyl)-1-benzofuran-7-carbonitrile
SMILESN#Cc1cccc2c(C(F)(F)F)coc12
InChIInChI=1S/C10H4F3NO/c11-10(12,13)8-5-15-9-6(4-14)2-1-3-7(8)9/h1-3,5H
InChIKeyVMOYCLZRSRGMBB-UHFFFAOYSA-N
MW211.14 g/mol
LogP3.32
Rot. Bonds

About 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile

3-(trifluoromethyl)-1-benzofuran-7-carbonitrile (PubChem CID 166609327) has the molecular formula C10H4F3NO and a molecular weight of 211.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-benzofuran-7-carbonitrile
PubChem CID166609327
Molecular FormulaC10H4F3NO
Molecular Weight211.14 g/mol
Exact Mass211.02
IUPAC Name3-(trifluoromethyl)-1-benzofuran-7-carbonitrile
SMILESN#Cc1cccc2c(C(F)(F)F)coc12
InChIInChI=1S/C10H4F3NO/c11-10(12,13)8-5-15-9-6(4-14)2-1-3-7(8)9/h1-3,5H
InChIKeyVMOYCLZRSRGMBB-UHFFFAOYSA-N
XLogP3.32
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile?
The IUPAC name of 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile (CID 166609327) is 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile.
What is the SMILES notation for 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile?
The canonical SMILES for 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile is N#Cc1cccc2c(C(F)(F)F)coc12.
What is the InChIKey of 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile?
The InChIKey is VMOYCLZRSRGMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3NO/c11-10(12,13)8-5-15-9-6(4-14)2-1-3-7(8)9/h1-3,5H.
What are the key properties of 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile?
3-(trifluoromethyl)-1-benzofuran-7-carbonitrile has a molecular weight of 211.14 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-benzofuran-7-carbonitrile is sourced from PubChem (CID 166609327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).