4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol

C8H9ClFNO3 — CID 84788284

IUPAC4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol
SMILESNC(CO)c1cc(F)c(O)c(Cl)c1O
InChIInChI=1S/C8H9ClFNO3/c9-6-7(13)3(5(11)2-12)1-4(10)8(6)14/h1,5,12-14H,2,11H2
InChIKeyPEAPUUAJIYJFLE-UHFFFAOYSA-N
MW221.61 g/mol
LogP0.88
Rot. Bonds2

About 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol

4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol (PubChem CID 84788284) has the molecular formula C8H9ClFNO3 and a molecular weight of 221.61 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol
PubChem CID84788284
Molecular FormulaC8H9ClFNO3
Molecular Weight221.61 g/mol
Exact Mass221.03
IUPAC Name4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol
SMILESNC(CO)c1cc(F)c(O)c(Cl)c1O
InChIInChI=1S/C8H9ClFNO3/c9-6-7(13)3(5(11)2-12)1-4(10)8(6)14/h1,5,12-14H,2,11H2
InChIKeyPEAPUUAJIYJFLE-UHFFFAOYSA-N
XLogP0.88
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminoethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84778822
2-amino-2-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117115476
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
CID 66515526
2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
3-[(1S)-1-amino-2-hydroxyethyl]-5-fluoro-4-hydroxybenzonitrile
CID 55274982
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171253901
6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
2-[(1R)-1-aminobut-3-enyl]-4-chloro-6-fluorophenol
CID 131143638
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol?
The IUPAC name of 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol (CID 84788284) is 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol is NC(CO)c1cc(F)c(O)c(Cl)c1O.
What is the InChIKey of 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol?
The InChIKey is PEAPUUAJIYJFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO3/c9-6-7(13)3(5(11)2-12)1-4(10)8(6)14/h1,5,12-14H,2,11H2.
What are the key properties of 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol?
4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol has a molecular weight of 221.61 g/mol, XLogP of 0.88, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol is sourced from PubChem (CID 84788284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).