(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride

C9H10BrClF3NO — CID 171226794

IUPAC(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3NO.ClH/c10-7-2-1-5(9(11,12)13)3-6(7)8(14)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m0./s1
InChIKeyLQZLRSXIZHYVTC-QRPNPIFTSA-N
MW320.54 g/mol
LogP2.88
Rot. Bonds2

About (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride

(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride (PubChem CID 171226794) has the molecular formula C9H10BrClF3NO and a molecular weight of 320.54 g/mol. Its IUPAC name is (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
PubChem CID171226794
Molecular FormulaC9H10BrClF3NO
Molecular Weight320.54 g/mol
Exact Mass318.96
IUPAC Name(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3NO.ClH/c10-7-2-1-5(9(11,12)13)3-6(7)8(14)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m0./s1
InChIKeyLQZLRSXIZHYVTC-QRPNPIFTSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-4-[2-bromo-5-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226799
(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
CID 171313733
1-[2-bromo-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 104992641
2-(1-amino-2-hydroxyethyl)-6-bromo-4-(trifluoromethyl)phenol
CID 77130561
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171207213
(2S)-2-[1-[2-bromo-5-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 167970384
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride (CID 171226794) is (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride is Cl.N[C@@H](CO)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The InChIKey is LQZLRSXIZHYVTC-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H9BrF3NO.ClH/c10-7-2-1-5(9(11,12)13)3-6(7)8(14)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m0./s1.
What are the key properties of (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride?
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride has a molecular weight of 320.54 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171226794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).