[4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride

C8H8BrClF3NO — CID 68756470

IUPAC[4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO.ClH/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyROPNJGDSCHVYSS-UHFFFAOYSA-N
MW306.51 g/mol
LogP3.23
Rot. Bonds2

About [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride

[4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 68756470) has the molecular formula C8H8BrClF3NO and a molecular weight of 306.51 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID68756470
Molecular FormulaC8H8BrClF3NO
Molecular Weight306.51 g/mol
Exact Mass304.94
IUPAC Name[4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO.ClH/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyROPNJGDSCHVYSS-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride (CID 68756470) is [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is ROPNJGDSCHVYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO.ClH/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12;/h1-3H,4,13H2;1H.
What are the key properties of [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
[4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 306.51 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 68756470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).