4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol

C8H9FO3 — CID 130033907

IUPAC4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol
SMILESOc1ccc(C(O)CF)cc1O
InChIInChI=1S/C8H9FO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4H2
InChIKeyZMSUBNGIERJQTF-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.10
Rot. Bonds2

About 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol

4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol (PubChem CID 130033907) has the molecular formula C8H9FO3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol
PubChem CID130033907
Molecular FormulaC8H9FO3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol
SMILESOc1ccc(C(O)CF)cc1O
InChIInChI=1S/C8H9FO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4H2
InChIKeyZMSUBNGIERJQTF-UHFFFAOYSA-N
XLogP1.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azanium
CID 6921839
potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride
CID 173424167
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
1-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]pyrrolidine-2,5-dione
CID 142609413
4-[4-(3,4-dihydroxyphenyl)-4-hydroxybutyl]benzene-1,2-diol
CID 57005923
sodium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
CID 174756001
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid
CID 67900579
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
boric acid;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
CID 23618421

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol?
The IUPAC name of 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol (CID 130033907) is 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol?
The canonical SMILES for 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol is Oc1ccc(C(O)CF)cc1O.
What is the InChIKey of 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol?
The InChIKey is ZMSUBNGIERJQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4H2.
What are the key properties of 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol?
4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol has a molecular weight of 172.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol is sourced from PubChem (CID 130033907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).