2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol

C9H10F3NO2 — CID 105476954

IUPAC2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESNOCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-15-13/h1-4,8,14H,5,13H2
InChIKeyAXMFLVHTWRHXCK-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.63
Rot. Bonds3

About 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol

2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 105476954) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID105476954
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESNOCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-15-13/h1-4,8,14H,5,13H2
InChIKeyAXMFLVHTWRHXCK-UHFFFAOYSA-N
XLogP1.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
3-aminooxy-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105495712
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
2-(2-aminooxy-1-hydroxyethyl)phenol
CID 105434025
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 105096267
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 162348022

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol (CID 105476954) is 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol is NOCC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is AXMFLVHTWRHXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-15-13/h1-4,8,14H,5,13H2.
What are the key properties of 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol?
2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 221.18 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 105476954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).