6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol

C9H12FNO3 — CID 117289816

IUPAC6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
SMILESCONCc1ccc(F)c(O)c1OC
InChIInChI=1S/C9H12FNO3/c1-13-9-6(5-11-14-2)3-4-7(10)8(9)12/h3-4,11-12H,5H2,1-2H3
InChIKeyYXXAZYWFSDRQGI-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.19
Rot. Bonds4

About 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol

6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol (PubChem CID 117289816) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol.

Molecular Properties

Compound Name6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
PubChem CID117289816
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
SMILESCONCc1ccc(F)c(O)c1OC
InChIInChI=1S/C9H12FNO3/c1-13-9-6(5-11-14-2)3-4-7(10)8(9)12/h3-4,11-12H,5H2,1-2H3
InChIKeyYXXAZYWFSDRQGI-UHFFFAOYSA-N
XLogP1.19
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol
CID 117280653
6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
CID 117276907
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117441818
2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol
CID 117301699
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
CID 117288951
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol?
The IUPAC name of 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol (CID 117289816) is 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol.
What is the SMILES notation for 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol?
The canonical SMILES for 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol is CONCc1ccc(F)c(O)c1OC.
What is the InChIKey of 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol?
The InChIKey is YXXAZYWFSDRQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-13-9-6(5-11-14-2)3-4-7(10)8(9)12/h3-4,11-12H,5H2,1-2H3.
What are the key properties of 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol?
6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol has a molecular weight of 201.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol is sourced from PubChem (CID 117289816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).