4-bromo-2-(fluoromethoxy)aniline

C7H7BrFNO — CID 54094296

IUPAC4-bromo-2-(fluoromethoxy)aniline
SMILESNc1ccc(Br)cc1OCF
InChIInChI=1S/C7H7BrFNO/c8-5-1-2-6(10)7(3-5)11-4-9/h1-3H,4,10H2
InChIKeyMVZXUKHLYOJYFE-UHFFFAOYSA-N
MW220.04 g/mol
LogP2.34
Rot. Bonds2

About 4-bromo-2-(fluoromethoxy)aniline

4-bromo-2-(fluoromethoxy)aniline (PubChem CID 54094296) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is 4-bromo-2-(fluoromethoxy)aniline.

Molecular Properties

Compound Name4-bromo-2-(fluoromethoxy)aniline
PubChem CID54094296
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name4-bromo-2-(fluoromethoxy)aniline
SMILESNc1ccc(Br)cc1OCF
InChIInChI=1S/C7H7BrFNO/c8-5-1-2-6(10)7(3-5)11-4-9/h1-3H,4,10H2
InChIKeyMVZXUKHLYOJYFE-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(fluoromethoxy)aniline?
The IUPAC name of 4-bromo-2-(fluoromethoxy)aniline (CID 54094296) is 4-bromo-2-(fluoromethoxy)aniline.
What is the SMILES notation for 4-bromo-2-(fluoromethoxy)aniline?
The canonical SMILES for 4-bromo-2-(fluoromethoxy)aniline is Nc1ccc(Br)cc1OCF.
What is the InChIKey of 4-bromo-2-(fluoromethoxy)aniline?
The InChIKey is MVZXUKHLYOJYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-5-1-2-6(10)7(3-5)11-4-9/h1-3H,4,10H2.
What are the key properties of 4-bromo-2-(fluoromethoxy)aniline?
4-bromo-2-(fluoromethoxy)aniline has a molecular weight of 220.04 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(fluoromethoxy)aniline is sourced from PubChem (CID 54094296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).