5-bromo-2-chloro-4-(trifluoromethyl)aniline

C7H4BrClF3N — CID 121227632

IUPAC5-bromo-2-chloro-4-(trifluoromethyl)aniline
SMILESNc1cc(Br)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H4BrClF3N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2
InChIKeyQXGNMFLERWFJCL-UHFFFAOYSA-N
MW274.47 g/mol
LogP3.70
Rot. Bonds

About 5-bromo-2-chloro-4-(trifluoromethyl)aniline

5-bromo-2-chloro-4-(trifluoromethyl)aniline (PubChem CID 121227632) has the molecular formula C7H4BrClF3N and a molecular weight of 274.47 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(trifluoromethyl)aniline
PubChem CID121227632
Molecular FormulaC7H4BrClF3N
Molecular Weight274.47 g/mol
Exact Mass272.92
IUPAC Name5-bromo-2-chloro-4-(trifluoromethyl)aniline
SMILESNc1cc(Br)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H4BrClF3N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2
InChIKeyQXGNMFLERWFJCL-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 53.70
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

2-chloro-4,5-bis(trifluoromethyl)aniline
CID 118812765
[2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol
CID 131118686
5-bromo-2-(trifluoromethoxy)-4-(trifluoromethyl)aniline
CID 134629385
5-bromo-2-(difluoromethoxy)-4-(trifluoromethyl)aniline
CID 131404488
2-chloro-4-(difluoromethyl)-5-(trifluoromethyl)aniline
CID 118993786
2-chloro-4-(chloromethyl)-5-(trifluoromethyl)aniline
CID 131011851
4-amino-5-chloro-2-(trifluoromethyl)benzonitrile
CID 16756856
5-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130730619
5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 131462426
4-bromo-2-nitro-5-(trifluoromethyl)aniline;4-bromo-5-(trifluoromethyl)benzene-1,2-diamine;dichlorotin
CID 161112534
4-bromo-2-(2-chloroethoxy)-5-(trifluoromethyl)aniline
CID 121365283
2-amino-5-chloro-4-(trifluoromethyl)benzenethiol
CID 82548296

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-2-chloro-4-(trifluoromethyl)aniline (CID 121227632) is 5-bromo-2-chloro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-2-chloro-4-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-2-chloro-4-(trifluoromethyl)aniline is Nc1cc(Br)c(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-bromo-2-chloro-4-(trifluoromethyl)aniline?
The InChIKey is QXGNMFLERWFJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2.
What are the key properties of 5-bromo-2-chloro-4-(trifluoromethyl)aniline?
5-bromo-2-chloro-4-(trifluoromethyl)aniline has a molecular weight of 274.47 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 121227632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).