2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol

C9H9BrF3NO — CID 91647748

IUPAC2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol
SMILESNC(CO)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H9BrF3NO/c10-5-1-2-6(8(14)4-15)7(3-5)9(11,12)13/h1-3,8,15H,4,14H2
InChIKeyYKSJIIVDGSXRGG-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.46
Rot. Bonds2

About 2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol

2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol (PubChem CID 91647748) has the molecular formula C9H9BrF3NO and a molecular weight of 284.08 g/mol. Its IUPAC name is 2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol
PubChem CID91647748
Molecular FormulaC9H9BrF3NO
Molecular Weight284.08 g/mol
Exact Mass282.98
IUPAC Name2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol
SMILESNC(CO)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H9BrF3NO/c10-5-1-2-6(8(14)4-15)7(3-5)9(11,12)13/h1-3,8,15H,4,14H2
InChIKeyYKSJIIVDGSXRGG-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 ≤ 500284.08
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol (CID 91647748) is 2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol is NC(CO)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is YKSJIIVDGSXRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-5-1-2-6(8(14)4-15)7(3-5)9(11,12)13/h1-3,8,15H,4,14H2.
What are the key properties of 2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol?
2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 284.08 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-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 91647748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).