3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol

C8H10FNO3 — CID 117280653

IUPAC3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol
SMILESCONCc1ccc(F)c(O)c1O
InChIInChI=1S/C8H10FNO3/c1-13-10-4-5-2-3-6(9)8(12)7(5)11/h2-3,10-12H,4H2,1H3
InChIKeyYFHRFCKTOJBTLU-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.89
Rot. Bonds3

About 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol

3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol (PubChem CID 117280653) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol
PubChem CID117280653
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol
SMILESCONCc1ccc(F)c(O)c1O
InChIInChI=1S/C8H10FNO3/c1-13-10-4-5-2-3-6(9)8(12)7(5)11/h2-3,10-12H,4H2,1H3
InChIKeyYFHRFCKTOJBTLU-UHFFFAOYSA-N
XLogP0.89
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
CID 117289816
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
CID 117288951
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
2-[(methoxyamino)methyl]-5-methylsulfanylphenol
CID 117288786
5-[(methoxyamino)methyl]benzene-1,2,4-triol;hydrochloride
CID 91937662
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
4-fluoro-3-[(methoxyamino)methyl]benzonitrile
CID 60705848
4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol
CID 117315153
3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117280370
5-tert-butyl-3-[(methoxyamino)methyl]benzene-1,2-diol
CID 117323974
6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
CID 117276907

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol?
The IUPAC name of 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol (CID 117280653) is 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol?
The canonical SMILES for 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol is CONCc1ccc(F)c(O)c1O.
What is the InChIKey of 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol?
The InChIKey is YFHRFCKTOJBTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3/c1-13-10-4-5-2-3-6(9)8(12)7(5)11/h2-3,10-12H,4H2,1H3.
What are the key properties of 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol?
3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol has a molecular weight of 187.17 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol is sourced from PubChem (CID 117280653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).