2-amino-3-(2,2-difluoroethoxy)phenol

C8H9F2NO2 — CID 114764343

IUPAC2-amino-3-(2,2-difluoroethoxy)phenol
SMILESNc1c(O)cccc1OCC(F)F
InChIInChI=1S/C8H9F2NO2/c9-7(10)4-13-6-3-1-2-5(12)8(6)11/h1-3,7,12H,4,11H2
InChIKeyCCBFDEXKGIOLCD-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-3-(2,2-difluoroethoxy)phenol

2-amino-3-(2,2-difluoroethoxy)phenol (PubChem CID 114764343) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2-amino-3-(2,2-difluoroethoxy)phenol.

Molecular Properties

Compound Name2-amino-3-(2,2-difluoroethoxy)phenol
PubChem CID114764343
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2-amino-3-(2,2-difluoroethoxy)phenol
SMILESNc1c(O)cccc1OCC(F)F
InChIInChI=1S/C8H9F2NO2/c9-7(10)4-13-6-3-1-2-5(12)8(6)11/h1-3,7,12H,4,11H2
InChIKeyCCBFDEXKGIOLCD-UHFFFAOYSA-N
XLogP1.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-hydroxypropoxy)phenol
CID 114764312
2-amino-3-aminooxyphenol;dihydrochloride
CID 19876209
2-(2-amino-3-hydroxyphenoxy)acetamide
CID 114764309
2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
methyl 2-amino-6-(2,2-difluoroethoxy)benzoate
CID 107341765
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
2-amino-3-(3,3-dimethylbutoxy)phenol
CID 114764205
2-amino-3-[(4-methylphenyl)methoxy]phenol
CID 114764418
2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
CID 114764274
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
CID 114764237

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2-difluoroethoxy)phenol?
The IUPAC name of 2-amino-3-(2,2-difluoroethoxy)phenol (CID 114764343) is 2-amino-3-(2,2-difluoroethoxy)phenol.
What is the SMILES notation for 2-amino-3-(2,2-difluoroethoxy)phenol?
The canonical SMILES for 2-amino-3-(2,2-difluoroethoxy)phenol is Nc1c(O)cccc1OCC(F)F.
What is the InChIKey of 2-amino-3-(2,2-difluoroethoxy)phenol?
The InChIKey is CCBFDEXKGIOLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-7(10)4-13-6-3-1-2-5(12)8(6)11/h1-3,7,12H,4,11H2.
What are the key properties of 2-amino-3-(2,2-difluoroethoxy)phenol?
2-amino-3-(2,2-difluoroethoxy)phenol has a molecular weight of 189.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2-difluoroethoxy)phenol is sourced from PubChem (CID 114764343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).