[(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride

C10H12BrClFN — CID 155534559

IUPAC[(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@]1(F)c1ccccc1Br
InChIInChI=1S/C10H11BrFN.ClH/c11-9-4-2-1-3-8(9)10(12)5-7(10)6-13;/h1-4,7H,5-6,13H2;1H/t7-,10-;/m1./s1
InChIKeyXGEGRUARANGLJV-YZUKSGEXSA-N
MW280.57 g/mol
LogP3.01
Rot. Bonds2

About [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride

[(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride (PubChem CID 155534559) has the molecular formula C10H12BrClFN and a molecular weight of 280.57 g/mol. Its IUPAC name is [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride
PubChem CID155534559
Molecular FormulaC10H12BrClFN
Molecular Weight280.57 g/mol
Exact Mass278.98
IUPAC Name[(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@]1(F)c1ccccc1Br
InChIInChI=1S/C10H11BrFN.ClH/c11-9-4-2-1-3-8(9)10(12)5-7(10)6-13;/h1-4,7H,5-6,13H2;1H/t7-,10-;/m1./s1
InChIKeyXGEGRUARANGLJV-YZUKSGEXSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride (CID 155534559) is [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@]1(F)c1ccccc1Br.
What is the InChIKey of [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride?
The InChIKey is XGEGRUARANGLJV-YZUKSGEXSA-N. The full InChI is InChI=1S/C10H11BrFN.ClH/c11-9-4-2-1-3-8(9)10(12)5-7(10)6-13;/h1-4,7H,5-6,13H2;1H/t7-,10-;/m1./s1.
What are the key properties of [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride?
[(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride has a molecular weight of 280.57 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-bromophenyl)-2-fluorocyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 155534559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).