2-(2-amino-3,5-difluorophenoxy)ethanol

C8H9F2NO2 — CID 115507300

IUPAC2-(2-amino-3,5-difluorophenoxy)ethanol
SMILESNc1c(F)cc(F)cc1OCCO
InChIInChI=1S/C8H9F2NO2/c9-5-3-6(10)8(11)7(4-5)13-2-1-12/h3-4,12H,1-2,11H2
InChIKeyZDWABOJCXAANFA-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.92
Rot. Bonds3

About 2-(2-amino-3,5-difluorophenoxy)ethanol

2-(2-amino-3,5-difluorophenoxy)ethanol (PubChem CID 115507300) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2-(2-amino-3,5-difluorophenoxy)ethanol.

Molecular Properties

Compound Name2-(2-amino-3,5-difluorophenoxy)ethanol
PubChem CID115507300
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2-(2-amino-3,5-difluorophenoxy)ethanol
SMILESNc1c(F)cc(F)cc1OCCO
InChIInChI=1S/C8H9F2NO2/c9-5-3-6(10)8(11)7(4-5)13-2-1-12/h3-4,12H,1-2,11H2
InChIKeyZDWABOJCXAANFA-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-6-(2-methoxyethoxy)aniline
CID 115507275
2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane
CID 169135247
2,4-difluoro-6-(furan-2-ylmethoxy)aniline
CID 115507233
2-[3,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol
CID 70190975
[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol
CID 113325423
2-(2,3,4-trifluorophenoxy)ethanol
CID 117051245
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776
3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol
CID 143578451
2,4-difluoro-6-(4-fluorophenoxy)aniline
CID 113325387
2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride
CID 68743349
2-(1,3-benzodioxol-5-ylmethoxy)-4,6-difluoroaniline
CID 115507284
4-(4-amino-2,5-difluorophenoxy)butan-1-ol
CID 63599718

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,5-difluorophenoxy)ethanol?
The IUPAC name of 2-(2-amino-3,5-difluorophenoxy)ethanol (CID 115507300) is 2-(2-amino-3,5-difluorophenoxy)ethanol.
What is the SMILES notation for 2-(2-amino-3,5-difluorophenoxy)ethanol?
The canonical SMILES for 2-(2-amino-3,5-difluorophenoxy)ethanol is Nc1c(F)cc(F)cc1OCCO.
What is the InChIKey of 2-(2-amino-3,5-difluorophenoxy)ethanol?
The InChIKey is ZDWABOJCXAANFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-5-3-6(10)8(11)7(4-5)13-2-1-12/h3-4,12H,1-2,11H2.
What are the key properties of 2-(2-amino-3,5-difluorophenoxy)ethanol?
2-(2-amino-3,5-difluorophenoxy)ethanol has a molecular weight of 189.16 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,5-difluorophenoxy)ethanol is sourced from PubChem (CID 115507300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).