3-bromo-5-(trifluoromethyl)aniline

C7H5BrF3N — CID 2735880

IUPAC3-bromo-5-(trifluoromethyl)aniline
SMILESNc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChIKeyHJTLKVYOWNTDPF-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.05
Rot. Bonds

About 3-bromo-5-(trifluoromethyl)aniline

3-bromo-5-(trifluoromethyl)aniline (PubChem CID 2735880) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 3-bromo-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-bromo-5-(trifluoromethyl)aniline
PubChem CID2735880
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name3-bromo-5-(trifluoromethyl)aniline
SMILESNc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChIKeyHJTLKVYOWNTDPF-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 53.05
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 3-bromo-5-(trifluoromethyl)aniline?
The IUPAC name of 3-bromo-5-(trifluoromethyl)aniline (CID 2735880) is 3-bromo-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-bromo-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-bromo-5-(trifluoromethyl)aniline is Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 3-bromo-5-(trifluoromethyl)aniline?
The InChIKey is HJTLKVYOWNTDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2.
What are the key properties of 3-bromo-5-(trifluoromethyl)aniline?
3-bromo-5-(trifluoromethyl)aniline has a molecular weight of 240.02 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(trifluoromethyl)aniline is sourced from PubChem (CID 2735880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).