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

C7H4BrClF3NO — CID 121227608

IUPAC5-bromo-4-chloro-2-(trifluoromethoxy)aniline
SMILESNc1cc(Br)c(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H4BrClF3NO/c8-3-1-5(13)6(2-4(3)9)14-7(10,11)12/h1-2H,13H2
InChIKeyZSYLBRLEVDOCRL-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.58
Rot. Bonds1

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

5-bromo-4-chloro-2-(trifluoromethoxy)aniline (PubChem CID 121227608) has the molecular formula C7H4BrClF3NO and a molecular weight of 290.47 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(trifluoromethoxy)aniline
PubChem CID121227608
Molecular FormulaC7H4BrClF3NO
Molecular Weight290.47 g/mol
Exact Mass288.91
IUPAC Name5-bromo-4-chloro-2-(trifluoromethoxy)aniline
SMILESNc1cc(Br)c(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H4BrClF3NO/c8-3-1-5(13)6(2-4(3)9)14-7(10,11)12/h1-2H,13H2
InChIKeyZSYLBRLEVDOCRL-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
5-chloro-4-iodo-2-(trifluoromethoxy)aniline
CID 130895645
5-bromo-2-(trifluoromethoxy)-4-(trifluoromethyl)aniline
CID 134629385
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
4-amino-2-bromo-5-(trifluoromethoxy)benzoic acid
CID 118829327
5-chloro-2-(trifluoromethoxy)-4-(trifluoromethylsulfanyl)aniline
CID 171036740
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
2-bromo-4-(trifluoromethoxy)-5-(trifluoromethyl)aniline
CID 119024432
4-bromo-2-chloro-5-(trifluoromethoxy)benzoic acid
CID 86682805

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(trifluoromethoxy)aniline?
The IUPAC name of 5-bromo-4-chloro-2-(trifluoromethoxy)aniline (CID 121227608) is 5-bromo-4-chloro-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 5-bromo-4-chloro-2-(trifluoromethoxy)aniline?
The canonical SMILES for 5-bromo-4-chloro-2-(trifluoromethoxy)aniline is Nc1cc(Br)c(Cl)cc1OC(F)(F)F.
What is the InChIKey of 5-bromo-4-chloro-2-(trifluoromethoxy)aniline?
The InChIKey is ZSYLBRLEVDOCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3NO/c8-3-1-5(13)6(2-4(3)9)14-7(10,11)12/h1-2H,13H2.
What are the key properties of 5-bromo-4-chloro-2-(trifluoromethoxy)aniline?
5-bromo-4-chloro-2-(trifluoromethoxy)aniline has a molecular weight of 290.47 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 121227608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).