4-(aminooxymethyl)-2-(1-fluoroethyl)phenol

C9H12FNO2 — CID 117280118

IUPAC4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
SMILESCC(F)c1cc(CON)ccc1O
InChIInChI=1S/C9H12FNO2/c1-6(10)8-4-7(5-13-11)2-3-9(8)12/h2-4,6,12H,5,11H2,1H3
InChIKeyJQKCSSVWKHMARP-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.81
Rot. Bonds3

About 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol

4-(aminooxymethyl)-2-(1-fluoroethyl)phenol (PubChem CID 117280118) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol.

Molecular Properties

Compound Name4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
PubChem CID117280118
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
SMILESCC(F)c1cc(CON)ccc1O
InChIInChI=1S/C9H12FNO2/c1-6(10)8-4-7(5-13-11)2-3-9(8)12/h2-4,6,12H,5,11H2,1H3
InChIKeyJQKCSSVWKHMARP-UHFFFAOYSA-N
XLogP1.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.81
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

4-(aminooxymethyl)-2-methylphenol
CID 117276023
O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine
CID 117276742
4-amino-2-(1-fluoroethyl)phenol
CID 143243715
2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol
CID 55262532
2-(1-fluoroethyl)-4-(isocyanatomethyl)phenol
CID 117284995
3-amino-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 84691068
2-(1-aminopropan-2-yl)-4-(methoxymethyl)phenol
CID 83879401
4-(aminomethyl)-2-(difluoromethyl)phenol
CID 84654551
O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117288927
5-(aminooxymethyl)-2-chlorophenol;hydrochloride
CID 172820191
3-amino-2-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 84691069
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol?
The IUPAC name of 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol (CID 117280118) is 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol.
What is the SMILES notation for 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol?
The canonical SMILES for 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol is CC(F)c1cc(CON)ccc1O.
What is the InChIKey of 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol?
The InChIKey is JQKCSSVWKHMARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-6(10)8-4-7(5-13-11)2-3-9(8)12/h2-4,6,12H,5,11H2,1H3.
What are the key properties of 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol?
4-(aminooxymethyl)-2-(1-fluoroethyl)phenol has a molecular weight of 185.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)-2-(1-fluoroethyl)phenol is sourced from PubChem (CID 117280118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).