3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol

C8H10FNO2 — CID 117276872

IUPAC3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
SMILESCc1ccc(F)c(CNO)c1O
InChIInChI=1S/C8H10FNO2/c1-5-2-3-7(9)6(4-10-12)8(5)11/h2-3,10-12H,4H2,1H3
InChIKeyWAJDQIRBLANQSW-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.32
Rot. Bonds2

About 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol

3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol (PubChem CID 117276872) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
PubChem CID117276872
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
SMILESCc1ccc(F)c(CNO)c1O
InChIInChI=1S/C8H10FNO2/c1-5-2-3-7(9)6(4-10-12)8(5)11/h2-3,10-12H,4H2,1H3
InChIKeyWAJDQIRBLANQSW-UHFFFAOYSA-N
XLogP1.32
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84796698
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
2,6-difluoro-3-methylphenol;ethane
CID 143572521
N-[(2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84769642
3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
CID 43741707
2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
CID 84679519
2-amino-3-fluoro-6-methylphenol
CID 131278270
6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659094
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
2,6-difluoro-3-[(hydroxyamino)methyl]phenol
CID 117277165
6-fluoro-2-hydroxy-3-methylbenzonitrile
CID 88974968

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol?
The IUPAC name of 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol (CID 117276872) is 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol.
What is the SMILES notation for 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol?
The canonical SMILES for 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol is Cc1ccc(F)c(CNO)c1O.
What is the InChIKey of 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol?
The InChIKey is WAJDQIRBLANQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-5-2-3-7(9)6(4-10-12)8(5)11/h2-3,10-12H,4H2,1H3.
What are the key properties of 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol?
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol has a molecular weight of 171.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol is sourced from PubChem (CID 117276872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).