2-(2-fluorophenyl)ethane-1,1-diol

C8H9FO2 — CID 91576813

IUPAC2-(2-fluorophenyl)ethane-1,1-diol
SMILESOC(O)Cc1ccccc1F
InChIInChI=1S/C8H9FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,8,10-11H,5H2
InChIKeyYANVZAAPNPQJJV-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.68
Rot. Bonds2

About 2-(2-fluorophenyl)ethane-1,1-diol

2-(2-fluorophenyl)ethane-1,1-diol (PubChem CID 91576813) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethane-1,1-diol
PubChem CID91576813
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name2-(2-fluorophenyl)ethane-1,1-diol
SMILESOC(O)Cc1ccccc1F
InChIInChI=1S/C8H9FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,8,10-11H,5H2
InChIKeyYANVZAAPNPQJJV-UHFFFAOYSA-N
XLogP0.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethane-1,1-diol?
The IUPAC name of 2-(2-fluorophenyl)ethane-1,1-diol (CID 91576813) is 2-(2-fluorophenyl)ethane-1,1-diol.
What is the SMILES notation for 2-(2-fluorophenyl)ethane-1,1-diol?
The canonical SMILES for 2-(2-fluorophenyl)ethane-1,1-diol is OC(O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)ethane-1,1-diol?
The InChIKey is YANVZAAPNPQJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,8,10-11H,5H2.
What are the key properties of 2-(2-fluorophenyl)ethane-1,1-diol?
2-(2-fluorophenyl)ethane-1,1-diol has a molecular weight of 156.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethane-1,1-diol is sourced from PubChem (CID 91576813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).