(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride

C7H7BrClF2N — CID 73012230

IUPAC(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H6BrF2N.ClH/c8-4-1-6(9)5(3-11)7(10)2-4;/h1-2H,3,11H2;1H
InChIKeyWVXBSPZRXCEBDW-UHFFFAOYSA-N
MW258.49 g/mol
LogP2.61
Rot. Bonds1

About (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride

(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride (PubChem CID 73012230) has the molecular formula C7H7BrClF2N and a molecular weight of 258.49 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride
PubChem CID73012230
Molecular FormulaC7H7BrClF2N
Molecular Weight258.49 g/mol
Exact Mass256.94
IUPAC Name(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H6BrF2N.ClH/c8-4-1-6(9)5(3-11)7(10)2-4;/h1-2H,3,11H2;1H
InChIKeyWVXBSPZRXCEBDW-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride?
The IUPAC name of (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride (CID 73012230) is (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride is Cl.NCc1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride?
The InChIKey is WVXBSPZRXCEBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N.ClH/c8-4-1-6(9)5(3-11)7(10)2-4;/h1-2H,3,11H2;1H.
What are the key properties of (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride?
(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride has a molecular weight of 258.49 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 73012230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).