2-(aminooxymethyl)-3-chloro-6-fluorophenol

C7H7ClFNO2 — CID 117282772

IUPAC2-(aminooxymethyl)-3-chloro-6-fluorophenol
SMILESNOCc1c(Cl)ccc(F)c1O
InChIInChI=1S/C7H7ClFNO2/c8-5-1-2-6(9)7(11)4(5)3-12-10/h1-2,11H,3,10H2
InChIKeyKSJGMXDXLDJQED-UHFFFAOYSA-N
MW191.59 g/mol
LogP1.58
Rot. Bonds2

About 2-(aminooxymethyl)-3-chloro-6-fluorophenol

2-(aminooxymethyl)-3-chloro-6-fluorophenol (PubChem CID 117282772) has the molecular formula C7H7ClFNO2 and a molecular weight of 191.59 g/mol. Its IUPAC name is 2-(aminooxymethyl)-3-chloro-6-fluorophenol.

Molecular Properties

Compound Name2-(aminooxymethyl)-3-chloro-6-fluorophenol
PubChem CID117282772
Molecular FormulaC7H7ClFNO2
Molecular Weight191.59 g/mol
Exact Mass191.01
IUPAC Name2-(aminooxymethyl)-3-chloro-6-fluorophenol
SMILESNOCc1c(Cl)ccc(F)c1O
InChIInChI=1S/C7H7ClFNO2/c8-5-1-2-6(9)7(11)4(5)3-12-10/h1-2,11H,3,10H2
InChIKeyKSJGMXDXLDJQED-UHFFFAOYSA-N
XLogP1.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.59
LogP ≤ 51.58
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-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389548
6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol
CID 117294298
3-chloro-2-[(1R)-1,2-diaminoethyl]-6-fluorophenol
CID 131010003
1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
CID 118830415
2-amino-6-chloro-3-fluorophenol
CID 45120107
4-(aminooxymethyl)-3-fluorophenol
CID 117276067
3-(aminooxymethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117382990
4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol
CID 175432129
2-(aminooxymethyl)-6-chlorophenol
CID 117277054
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573
3-(aminooxymethyl)-6-chloro-2-methoxyphenol
CID 117292180
5-(aminooxymethyl)-2-chlorophenol;hydrochloride
CID 172820191

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-3-chloro-6-fluorophenol?
The IUPAC name of 2-(aminooxymethyl)-3-chloro-6-fluorophenol (CID 117282772) is 2-(aminooxymethyl)-3-chloro-6-fluorophenol.
What is the SMILES notation for 2-(aminooxymethyl)-3-chloro-6-fluorophenol?
The canonical SMILES for 2-(aminooxymethyl)-3-chloro-6-fluorophenol is NOCc1c(Cl)ccc(F)c1O.
What is the InChIKey of 2-(aminooxymethyl)-3-chloro-6-fluorophenol?
The InChIKey is KSJGMXDXLDJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2/c8-5-1-2-6(9)7(11)4(5)3-12-10/h1-2,11H,3,10H2.
What are the key properties of 2-(aminooxymethyl)-3-chloro-6-fluorophenol?
2-(aminooxymethyl)-3-chloro-6-fluorophenol has a molecular weight of 191.59 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-3-chloro-6-fluorophenol is sourced from PubChem (CID 117282772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).