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

C8H9BrCl2FN — CID 175839042

IUPAC(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.NC[C@H](F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClFN.ClH/c9-5-1-2-6(7(10)3-5)8(11)4-12;/h1-3,8H,4,12H2;1H/t8-;/m0./s1
InChIKeyTUEVYISOTNJACR-QRPNPIFTSA-N
MW288.98 g/mol
LogP3.49
Rot. Bonds2

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

(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 175839042) has the molecular formula C8H9BrCl2FN and a molecular weight of 288.98 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride
PubChem CID175839042
Molecular FormulaC8H9BrCl2FN
Molecular Weight288.98 g/mol
Exact Mass286.93
IUPAC Name(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.NC[C@H](F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClFN.ClH/c9-5-1-2-6(7(10)3-5)8(11)4-12;/h1-3,8H,4,12H2;1H/t8-;/m0./s1
InChIKeyTUEVYISOTNJACR-QRPNPIFTSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.98
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
CID 175839043
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
CID 65185943
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655
1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine
CID 105289666
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
4-[[2-amino-1-(4-bromo-2-chlorophenyl)ethyl]amino]butan-1-ol
CID 106841390
[1-(4-bromo-2-chlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313950
2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine
CID 112562799
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride (CID 175839042) is (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride is Cl.NC[C@H](F)c1ccc(Br)cc1Cl.
What is the InChIKey of (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is TUEVYISOTNJACR-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H8BrClFN.ClH/c9-5-1-2-6(7(10)3-5)8(11)4-12;/h1-3,8H,4,12H2;1H/t8-;/m0./s1.
What are the key properties of (2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride?
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 288.98 g/mol, XLogP of 3.49, 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;hydrochloride is sourced from PubChem (CID 175839042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).