2,4-dibromo-5-(fluoromethyl)aniline

C7H6Br2FN — CID 154310348

IUPAC2,4-dibromo-5-(fluoromethyl)aniline
SMILESNc1cc(CF)c(Br)cc1Br
InChIInChI=1S/C7H6Br2FN/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2H,3,11H2
InChIKeySBMGRAKSBTXPJF-UHFFFAOYSA-N
MW282.94 g/mol
LogP3.26
Rot. Bonds1

About 2,4-dibromo-5-(fluoromethyl)aniline

2,4-dibromo-5-(fluoromethyl)aniline (PubChem CID 154310348) has the molecular formula C7H6Br2FN and a molecular weight of 282.94 g/mol. Its IUPAC name is 2,4-dibromo-5-(fluoromethyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-5-(fluoromethyl)aniline
PubChem CID154310348
Molecular FormulaC7H6Br2FN
Molecular Weight282.94 g/mol
Exact Mass280.89
IUPAC Name2,4-dibromo-5-(fluoromethyl)aniline
SMILESNc1cc(CF)c(Br)cc1Br
InChIInChI=1S/C7H6Br2FN/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2H,3,11H2
InChIKeySBMGRAKSBTXPJF-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.94
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine
CID 117339731
2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
CID 117369450
1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117398395
2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine
CID 163404766
2-amino-5-bromo-4-(hydroxymethyl)benzoic acid
CID 142181531
2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid
CID 84710656
(2-amino-4,5-dibromophenyl)methanol
CID 90154017
4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline
CID 134226766
O-ethyl 2-(5-amino-2-bromo-4-fluorophenyl)ethanethioate
CID 139689518
5-fluoro-2-(fluoromethyl)aniline
CID 91883417
5-amino-4-bromo-2-fluorophenol
CID 74892030
N-(5-amino-2,4-dibromophenyl)acetamide
CID 14144188

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-(fluoromethyl)aniline?
The IUPAC name of 2,4-dibromo-5-(fluoromethyl)aniline (CID 154310348) is 2,4-dibromo-5-(fluoromethyl)aniline.
What is the SMILES notation for 2,4-dibromo-5-(fluoromethyl)aniline?
The canonical SMILES for 2,4-dibromo-5-(fluoromethyl)aniline is Nc1cc(CF)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-(fluoromethyl)aniline?
The InChIKey is SBMGRAKSBTXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2FN/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2H,3,11H2.
What are the key properties of 2,4-dibromo-5-(fluoromethyl)aniline?
2,4-dibromo-5-(fluoromethyl)aniline has a molecular weight of 282.94 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-(fluoromethyl)aniline is sourced from PubChem (CID 154310348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).