(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine

C9H9BrF3NO — CID 95240919

IUPAC(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine
SMILESN[C@@H](COC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C9H9BrF3NO/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4,8H,5,14H2/t8-/m0/s1
InChIKeyLYCBXJGTQOUKCD-QMMMGPOBSA-N
MW284.07 g/mol
LogP2.99
Rot. Bonds3

About (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine

(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine (PubChem CID 95240919) has the molecular formula C9H9BrF3NO and a molecular weight of 284.07 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine
PubChem CID95240919
Molecular FormulaC9H9BrF3NO
Molecular Weight284.07 g/mol
Exact Mass282.98
IUPAC Name(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine
SMILESN[C@@H](COC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C9H9BrF3NO/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4,8H,5,14H2/t8-/m0/s1
InChIKeyLYCBXJGTQOUKCD-QMMMGPOBSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol
CID 95240913
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
CID 97290639
1-bromo-2-[2-bromo-1-(trifluoromethoxy)ethyl]benzene
CID 123131823
(2-bromophenyl)methanediamine
CID 22286781
1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
CID 117243775
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
CID 171217585
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
tert-butyl (3S)-3-amino-3-(2-bromophenyl)propanoate
CID 11130344
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
CID 54594555
1-(2-bromophenyl)hexan-1-amine
CID 62604682
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine (CID 95240919) is (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine is N[C@@H](COC(F)(F)F)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine?
The InChIKey is LYCBXJGTQOUKCD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4,8H,5,14H2/t8-/m0/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine?
(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine has a molecular weight of 284.07 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 95240919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).