(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine

C8H8BrClFN — CID 175839043

IUPAC(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
SMILESNC[C@H](F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClFN/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2/t8-/m0/s1
InChIKeyQCQANRNKHMGAOC-QMMMGPOBSA-N
MW252.51 g/mol
LogP3.07
Rot. Bonds2

About (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine

(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine (PubChem CID 175839043) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
PubChem CID175839043
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
SMILESNC[C@H](F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClFN/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2/t8-/m0/s1
InChIKeyQCQANRNKHMGAOC-QMMMGPOBSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine?
The IUPAC name of (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine (CID 175839043) is (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine.
What is the SMILES notation for (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine?
The canonical SMILES for (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine is NC[C@H](F)c1ccc(Br)cc1Cl.
What is the InChIKey of (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine?
The InChIKey is QCQANRNKHMGAOC-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8BrClFN/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2/t8-/m0/s1.
What are the key properties of (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine?
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine has a molecular weight of 252.51 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 175839043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).