4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol

C8H9F2NO3 — CID 117293074

IUPAC4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol
SMILESCONCc1c(F)c(O)cc(O)c1F
InChIInChI=1S/C8H9F2NO3/c1-14-11-3-4-7(9)5(12)2-6(13)8(4)10/h2,11-13H,3H2,1H3
InChIKeyVFFZSCOOSNTHQP-UHFFFAOYSA-N
MW205.16 g/mol
LogP1.03
Rot. Bonds3

About 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol

4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol (PubChem CID 117293074) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol
PubChem CID117293074
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol
SMILESCONCc1c(F)c(O)cc(O)c1F
InChIInChI=1S/C8H9F2NO3/c1-14-11-3-4-7(9)5(12)2-6(13)8(4)10/h2,11-13H,3H2,1H3
InChIKeyVFFZSCOOSNTHQP-UHFFFAOYSA-N
XLogP1.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
5-[(methoxyamino)methyl]benzene-1,2,4-triol;hydrochloride
CID 91937662
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889
4-bromo-3-[(methoxyamino)methyl]benzene-1,2-diol
CID 117372654
2-[(methoxyamino)methyl]-5-methylsulfanylphenol
CID 117288786
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117409447
1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol
CID 117280653

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol?
The IUPAC name of 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol (CID 117293074) is 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol.
What is the SMILES notation for 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol?
The canonical SMILES for 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol is CONCc1c(F)c(O)cc(O)c1F.
What is the InChIKey of 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol?
The InChIKey is VFFZSCOOSNTHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-14-11-3-4-7(9)5(12)2-6(13)8(4)10/h2,11-13H,3H2,1H3.
What are the key properties of 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol?
4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol has a molecular weight of 205.16 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol is sourced from PubChem (CID 117293074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).