4-amino-2,6-difluoro-3-methoxyphenol

C7H7F2NO2 — CID 84766766

IUPAC4-amino-2,6-difluoro-3-methoxyphenol
SMILESCOc1c(N)cc(F)c(O)c1F
InChIInChI=1S/C7H7F2NO2/c1-12-7-4(10)2-3(8)6(11)5(7)9/h2,11H,10H2,1H3
InChIKeyOANRZEADQWKERU-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.26
Rot. Bonds1

About 4-amino-2,6-difluoro-3-methoxyphenol

4-amino-2,6-difluoro-3-methoxyphenol (PubChem CID 84766766) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-3-methoxyphenol.

Molecular Properties

Compound Name4-amino-2,6-difluoro-3-methoxyphenol
PubChem CID84766766
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name4-amino-2,6-difluoro-3-methoxyphenol
SMILESCOc1c(N)cc(F)c(O)c1F
InChIInChI=1S/C7H7F2NO2/c1-12-7-4(10)2-3(8)6(11)5(7)9/h2,11H,10H2,1H3
InChIKeyOANRZEADQWKERU-UHFFFAOYSA-N
XLogP1.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
3-bromo-5-fluoro-2,4-dimethoxyaniline
CID 84803833
2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol
CID 84777069
3,5-difluoro-2-methoxy-4-nitroaniline
CID 138109611
2-bromo-3,5-difluoro-4-methoxyaniline
CID 141136680
2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol
CID 117306260
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
CID 84811292
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
3,5-difluoro-2-methoxy-4-piperazin-1-ylaniline
CID 88756943
6-amino-4-fluoro-2,3-dimethoxybenzoic acid
CID 84783720
5-amino-2-fluoro-3,4-dimethoxybenzoic acid
CID 84680796
6-amino-2,3,4-trifluorophenol
CID 19957203

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-3-methoxyphenol?
The IUPAC name of 4-amino-2,6-difluoro-3-methoxyphenol (CID 84766766) is 4-amino-2,6-difluoro-3-methoxyphenol.
What is the SMILES notation for 4-amino-2,6-difluoro-3-methoxyphenol?
The canonical SMILES for 4-amino-2,6-difluoro-3-methoxyphenol is COc1c(N)cc(F)c(O)c1F.
What is the InChIKey of 4-amino-2,6-difluoro-3-methoxyphenol?
The InChIKey is OANRZEADQWKERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-12-7-4(10)2-3(8)6(11)5(7)9/h2,11H,10H2,1H3.
What are the key properties of 4-amino-2,6-difluoro-3-methoxyphenol?
4-amino-2,6-difluoro-3-methoxyphenol has a molecular weight of 175.13 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-3-methoxyphenol is sourced from PubChem (CID 84766766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).