4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol

C9H10F3NO2 — CID 117315125

IUPAC4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol
SMILESNOCCc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)8-5-7(14)2-1-6(8)3-4-15-13/h1-2,5,14H,3-4,13H2
InChIKeyFCMHTKGKBBWTEZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.84
Rot. Bonds3

About 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol

4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol (PubChem CID 117315125) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol
PubChem CID117315125
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol
SMILESNOCCc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)8-5-7(14)2-1-6(8)3-4-15-13/h1-2,5,14H,3-4,13H2
InChIKeyFCMHTKGKBBWTEZ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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

O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117111465
3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 84697357
2-(2-aminooxyethyl)-5-hydroxybenzaldehyde
CID 117278592
4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol
CID 117315153
O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117319005
O-[2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]hydroxylamine
CID 117411889
4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenol
CID 117219356
2-(aminooxymethyl)-6-(trifluoromethyl)phenol
CID 117295390
O-[2-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]ethyl]hydroxylamine
CID 117443843
4-(azepan-1-ylmethyl)-3-(trifluoromethyl)phenol
CID 117219369
4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol
CID 166611037
4-(aminooxymethyl)-3-fluorophenol
CID 117276067

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol?
The IUPAC name of 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol (CID 117315125) is 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol is NOCCc1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol?
The InChIKey is FCMHTKGKBBWTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)8-5-7(14)2-1-6(8)3-4-15-13/h1-2,5,14H,3-4,13H2.
What are the key properties of 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol?
4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol has a molecular weight of 221.18 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117315125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).