5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile

C15H11BrFNO — CID 135207001

IUPAC5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile
SMILESN#Cc1cc(Br)ccc1OCCc1ccc(F)cc1
InChIInChI=1S/C15H11BrFNO/c16-13-3-6-15(12(9-13)10-18)19-8-7-11-1-4-14(17)5-2-11/h1-6,9H,7-8H2
InChIKeyUAPFJDWWGWLVDK-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.08
Rot. Bonds4

About 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile

5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile (PubChem CID 135207001) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile
PubChem CID135207001
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile
SMILESN#Cc1cc(Br)ccc1OCCc1ccc(F)cc1
InChIInChI=1S/C15H11BrFNO/c16-13-3-6-15(12(9-13)10-18)19-8-7-11-1-4-14(17)5-2-11/h1-6,9H,7-8H2
InChIKeyUAPFJDWWGWLVDK-UHFFFAOYSA-N
XLogP4.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 80601674
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5-bromo-2-pent-4-ynoxybenzonitrile
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CID 80611460
5-bromo-2-(2-ethylsulfanylethoxy)benzonitrile
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4-bromo-2-(3-phenylpropoxy)benzonitrile
CID 114902467
5-bromo-2-prop-2-ynoxybenzonitrile
CID 83145923
5-bromo-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22682611
5-bromo-2-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
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4-[(4-bromo-2-cyanophenoxy)methyl]-2-fluorobenzoic acid
CID 106698497
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CID 20987774

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile?
The IUPAC name of 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile (CID 135207001) is 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile.
What is the SMILES notation for 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile?
The canonical SMILES for 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile is N#Cc1cc(Br)ccc1OCCc1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile?
The InChIKey is UAPFJDWWGWLVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-13-3-6-15(12(9-13)10-18)19-8-7-11-1-4-14(17)5-2-11/h1-6,9H,7-8H2.
What are the key properties of 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile?
5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile has a molecular weight of 320.16 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile is sourced from PubChem (CID 135207001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).