[4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride

C8H8BrClF3N — CID 118851021

IUPAC[4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H7BrF3N.ClH/c9-7-2-1-5(4-13)3-6(7)8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyDJWZJKQUSZZTNV-UHFFFAOYSA-N
MW290.51 g/mol
LogP3.35
Rot. Bonds1

About [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride

[4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 118851021) has the molecular formula C8H8BrClF3N and a molecular weight of 290.51 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID118851021
Molecular FormulaC8H8BrClF3N
Molecular Weight290.51 g/mol
Exact Mass288.95
IUPAC Name[4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H7BrF3N.ClH/c9-7-2-1-5(4-13)3-6(7)8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyDJWZJKQUSZZTNV-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 118851021) is [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is DJWZJKQUSZZTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N.ClH/c9-7-2-1-5(4-13)3-6(7)8(10,11)12;/h1-3H,4,13H2;1H.
What are the key properties of [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
[4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 290.51 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 118851021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).