3-bromo-4-(trifluoromethyl)aniline;hydrochloride

C7H6BrClF3N — CID 71388900

IUPAC3-bromo-4-(trifluoromethyl)aniline;hydrochloride
SMILESCl.Nc1ccc(C(F)(F)F)c(Br)c1
InChIInChI=1S/C7H5BrF3N.ClH/c8-6-3-4(12)1-2-5(6)7(9,10)11;/h1-3H,12H2;1H
InChIKeyRBYMFEVCDLQSSG-UHFFFAOYSA-N
MW276.48 g/mol
LogP3.47
Rot. Bonds

About 3-bromo-4-(trifluoromethyl)aniline;hydrochloride

3-bromo-4-(trifluoromethyl)aniline;hydrochloride (PubChem CID 71388900) has the molecular formula C7H6BrClF3N and a molecular weight of 276.48 g/mol. Its IUPAC name is 3-bromo-4-(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound Name3-bromo-4-(trifluoromethyl)aniline;hydrochloride
PubChem CID71388900
Molecular FormulaC7H6BrClF3N
Molecular Weight276.48 g/mol
Exact Mass274.93
IUPAC Name3-bromo-4-(trifluoromethyl)aniline;hydrochloride
SMILESCl.Nc1ccc(C(F)(F)F)c(Br)c1
InChIInChI=1S/C7H5BrF3N.ClH/c8-6-3-4(12)1-2-5(6)7(9,10)11;/h1-3H,12H2;1H
InChIKeyRBYMFEVCDLQSSG-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.48
LogP ≤ 53.47
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

3,4-dibromo-5-(trifluoromethyl)aniline
CID 121228150
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride
CID 131637048
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
4-bromo-3-(trifluoromethyl)aniline;4-ethyl-3-(trifluoromethyl)aniline
CID 158064528
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 97301750
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
4-(fluoromethyl)-3-(trifluoromethyl)aniline
CID 91883575
(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291120
3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169476062
2-amino-3-bromo-6-(trifluoromethyl)phenol
CID 130691630
5-bromo-2-chloro-4-(trifluoromethyl)aniline
CID 121227632
6-bromo-2-chloro-3-(trifluoromethyl)aniline
CID 129201873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of 3-bromo-4-(trifluoromethyl)aniline;hydrochloride (CID 71388900) is 3-bromo-4-(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for 3-bromo-4-(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for 3-bromo-4-(trifluoromethyl)aniline;hydrochloride is Cl.Nc1ccc(C(F)(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-4-(trifluoromethyl)aniline;hydrochloride?
The InChIKey is RBYMFEVCDLQSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N.ClH/c8-6-3-4(12)1-2-5(6)7(9,10)11;/h1-3H,12H2;1H.
What are the key properties of 3-bromo-4-(trifluoromethyl)aniline;hydrochloride?
3-bromo-4-(trifluoromethyl)aniline;hydrochloride has a molecular weight of 276.48 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 71388900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).