5-bromo-2-(2-fluoroethoxy)benzonitrile

C9H7BrFNO — CID 80601674

IUPAC5-bromo-2-(2-fluoroethoxy)benzonitrile
SMILESN#Cc1cc(Br)ccc1OCCF
InChIInChI=1S/C9H7BrFNO/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5H,3-4H2
InChIKeyMPVUQFDJASHMSL-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.67
Rot. Bonds3

About 5-bromo-2-(2-fluoroethoxy)benzonitrile

5-bromo-2-(2-fluoroethoxy)benzonitrile (PubChem CID 80601674) has the molecular formula C9H7BrFNO and a molecular weight of 244.06 g/mol. Its IUPAC name is 5-bromo-2-(2-fluoroethoxy)benzonitrile.

Molecular Properties

Compound Name5-bromo-2-(2-fluoroethoxy)benzonitrile
PubChem CID80601674
Molecular FormulaC9H7BrFNO
Molecular Weight244.06 g/mol
Exact Mass242.97
IUPAC Name5-bromo-2-(2-fluoroethoxy)benzonitrile
SMILESN#Cc1cc(Br)ccc1OCCF
InChIInChI=1S/C9H7BrFNO/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5H,3-4H2
InChIKeyMPVUQFDJASHMSL-UHFFFAOYSA-N
XLogP2.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(2-fluoroethoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile
CID 135207001
5-bromo-2-(3-methylbutoxy)benzonitrile
CID 83146127
5-bromo-2-pent-4-ynoxybenzonitrile
CID 112548329
5-bromo-2-(2-ethylsulfanylethoxy)benzonitrile
CID 115694765
5-bromo-2-prop-2-ynoxybenzonitrile
CID 83145923
5-bromo-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22682611
2-[2-(2-aminophenyl)ethoxy]-5-bromobenzonitrile
CID 102902840
5-bromo-2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]benzonitrile
CID 20987774
5-amino-2-(3-fluoropropoxy)benzonitrile
CID 81107247
5-bromo-2-[2-(3,4-dimethylphenoxy)ethoxy]benzonitrile
CID 20986331
5-bromo-2-(2-chloroprop-2-enoxy)benzonitrile
CID 80602742
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-fluoroethoxy)benzonitrile?
The IUPAC name of 5-bromo-2-(2-fluoroethoxy)benzonitrile (CID 80601674) is 5-bromo-2-(2-fluoroethoxy)benzonitrile.
What is the SMILES notation for 5-bromo-2-(2-fluoroethoxy)benzonitrile?
The canonical SMILES for 5-bromo-2-(2-fluoroethoxy)benzonitrile is N#Cc1cc(Br)ccc1OCCF.
What is the InChIKey of 5-bromo-2-(2-fluoroethoxy)benzonitrile?
The InChIKey is MPVUQFDJASHMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5H,3-4H2.
What are the key properties of 5-bromo-2-(2-fluoroethoxy)benzonitrile?
5-bromo-2-(2-fluoroethoxy)benzonitrile has a molecular weight of 244.06 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluoroethoxy)benzonitrile is sourced from PubChem (CID 80601674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).