3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile

C11H5BrFNO — CID 168525732

IUPAC3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile
SMILESN#Cc1ccc(F)c(Br)c1-c1ccco1
InChIInChI=1S/C11H5BrFNO/c12-11-8(13)4-3-7(6-14)10(11)9-2-1-5-15-9/h1-5H
InChIKeyGDFFJEWFUSWCQG-UHFFFAOYSA-N
MW266.07 g/mol
LogP3.72
Rot. Bonds1

About 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile

3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile (PubChem CID 168525732) has the molecular formula C11H5BrFNO and a molecular weight of 266.07 g/mol. Its IUPAC name is 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile.

Molecular Properties

Compound Name3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile
PubChem CID168525732
Molecular FormulaC11H5BrFNO
Molecular Weight266.07 g/mol
Exact Mass264.95
IUPAC Name3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile
SMILESN#Cc1ccc(F)c(Br)c1-c1ccco1
InChIInChI=1S/C11H5BrFNO/c12-11-8(13)4-3-7(6-14)10(11)9-2-1-5-15-9/h1-5H
InChIKeyGDFFJEWFUSWCQG-UHFFFAOYSA-N
XLogP3.72
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile?
The IUPAC name of 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile (CID 168525732) is 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile.
What is the SMILES notation for 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile?
The canonical SMILES for 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile is N#Cc1ccc(F)c(Br)c1-c1ccco1.
What is the InChIKey of 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile?
The InChIKey is GDFFJEWFUSWCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFNO/c12-11-8(13)4-3-7(6-14)10(11)9-2-1-5-15-9/h1-5H.
What are the key properties of 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile?
3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile has a molecular weight of 266.07 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile is sourced from PubChem (CID 168525732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).