4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile

C11H10BrFN2O — CID 68774743

IUPAC4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile
SMILESN#Cc1c(F)cc(Br)cc1N1CCOCC1
InChIInChI=1S/C11H10BrFN2O/c12-8-5-10(13)9(7-14)11(6-8)15-1-3-16-4-2-15/h5-6H,1-4H2
InChIKeyLTUVUGYIPYPIPH-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.30
Rot. Bonds1

About 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile

4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile (PubChem CID 68774743) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile
PubChem CID68774743
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile
SMILESN#Cc1c(F)cc(Br)cc1N1CCOCC1
InChIInChI=1S/C11H10BrFN2O/c12-8-5-10(13)9(7-14)11(6-8)15-1-3-16-4-2-15/h5-6H,1-4H2
InChIKeyLTUVUGYIPYPIPH-UHFFFAOYSA-N
XLogP2.30
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile?
The IUPAC name of 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile (CID 68774743) is 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile?
The canonical SMILES for 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile is N#Cc1c(F)cc(Br)cc1N1CCOCC1.
What is the InChIKey of 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile?
The InChIKey is LTUVUGYIPYPIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-8-5-10(13)9(7-14)11(6-8)15-1-3-16-4-2-15/h5-6H,1-4H2.
What are the key properties of 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile?
4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile has a molecular weight of 285.12 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 68774743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).