2-bromo-6-chloro-4-(fluoromethyl)aniline

C7H6BrClFN — CID 124504498

IUPAC2-bromo-6-chloro-4-(fluoromethyl)aniline
SMILESNc1c(Cl)cc(CF)cc1Br
InChIInChI=1S/C7H6BrClFN/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,3,11H2
InChIKeyVVVCBTVSZPGDCR-UHFFFAOYSA-N
MW238.49 g/mol
LogP3.15
Rot. Bonds1

About 2-bromo-6-chloro-4-(fluoromethyl)aniline

2-bromo-6-chloro-4-(fluoromethyl)aniline (PubChem CID 124504498) has the molecular formula C7H6BrClFN and a molecular weight of 238.49 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-(fluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-(fluoromethyl)aniline
PubChem CID124504498
Molecular FormulaC7H6BrClFN
Molecular Weight238.49 g/mol
Exact Mass236.94
IUPAC Name2-bromo-6-chloro-4-(fluoromethyl)aniline
SMILESNc1c(Cl)cc(CF)cc1Br
InChIInChI=1S/C7H6BrClFN/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,3,11H2
InChIKeyVVVCBTVSZPGDCR-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-(fluoromethyl)aniline?
The IUPAC name of 2-bromo-6-chloro-4-(fluoromethyl)aniline (CID 124504498) is 2-bromo-6-chloro-4-(fluoromethyl)aniline.
What is the SMILES notation for 2-bromo-6-chloro-4-(fluoromethyl)aniline?
The canonical SMILES for 2-bromo-6-chloro-4-(fluoromethyl)aniline is Nc1c(Cl)cc(CF)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-4-(fluoromethyl)aniline?
The InChIKey is VVVCBTVSZPGDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFN/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,3,11H2.
What are the key properties of 2-bromo-6-chloro-4-(fluoromethyl)aniline?
2-bromo-6-chloro-4-(fluoromethyl)aniline has a molecular weight of 238.49 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-(fluoromethyl)aniline is sourced from PubChem (CID 124504498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).