(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride

C8H7BrCl2F3N — CID 171240921

IUPAC(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1Br)C(F)(F)F
InChIInChI=1S/C8H6BrClF3N.ClH/c9-6-2-1-4(10)3-5(6)7(14)8(11,12)13;/h1-3,7H,14H2;1H/t7-;/m1./s1
InChIKeyNDXJLQBSWNVRDI-OGFXRTJISA-N
MW324.96 g/mol
LogP4.09
Rot. Bonds1

About (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride

(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 171240921) has the molecular formula C8H7BrCl2F3N and a molecular weight of 324.96 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID171240921
Molecular FormulaC8H7BrCl2F3N
Molecular Weight324.96 g/mol
Exact Mass322.91
IUPAC Name(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1Br)C(F)(F)F
InChIInChI=1S/C8H6BrClF3N.ClH/c9-6-2-1-4(10)3-5(6)7(14)8(11,12)13;/h1-3,7H,14H2;1H/t7-;/m1./s1
InChIKeyNDXJLQBSWNVRDI-OGFXRTJISA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.96
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242193
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
(1S)-1-(2-bromo-4,5-difluorophenyl)-2,2,2-trifluoroethanamine
CID 66511938
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 171242192
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
(1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312306
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262032

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride (CID 171240921) is (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride is Cl.N[C@H](c1cc(Cl)ccc1Br)C(F)(F)F.
What is the InChIKey of (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is NDXJLQBSWNVRDI-OGFXRTJISA-N. The full InChI is InChI=1S/C8H6BrClF3N.ClH/c9-6-2-1-4(10)3-5(6)7(14)8(11,12)13;/h1-3,7H,14H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 324.96 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 171240921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).