2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol

C9H9BrF3NO — CID 117456631

IUPAC2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol
SMILESNCC(O)c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C9H9BrF3NO/c10-6-3-1-2-5(9(11,12)13)8(6)7(15)4-14/h1-3,7,15H,4,14H2
InChIKeyZSZAVIYVYOKSSM-UHFFFAOYSA-N
MW284.07 g/mol
LogP2.46
Rot. Bonds2

About 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol

2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol (PubChem CID 117456631) has the molecular formula C9H9BrF3NO and a molecular weight of 284.07 g/mol. Its IUPAC name is 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol
PubChem CID117456631
Molecular FormulaC9H9BrF3NO
Molecular Weight284.07 g/mol
Exact Mass282.98
IUPAC Name2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol
SMILESNCC(O)c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C9H9BrF3NO/c10-6-3-1-2-5(9(11,12)13)8(6)7(15)4-14/h1-3,7,15H,4,14H2
InChIKeyZSZAVIYVYOKSSM-UHFFFAOYSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117452946
3-amino-2-[2-bromo-6-(trifluoromethyl)phenyl]propanoic acid
CID 117496566
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol
CID 117115338
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
CID 54407818
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
CID 117452873
2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol
CID 84706927
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
CID 139965741
2-[(1S)-1,2-diaminoethyl]-6-(trifluoromethyl)phenol
CID 66517650
2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117347970

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol (CID 117456631) is 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol is NCC(O)c1c(Br)cccc1C(F)(F)F.
What is the InChIKey of 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ZSZAVIYVYOKSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-6-3-1-2-5(9(11,12)13)8(6)7(15)4-14/h1-3,7,15H,4,14H2.
What are the key properties of 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol?
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol has a molecular weight of 284.07 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 117456631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).