(1R)-1-(4-fluorophenyl)ethane-1,2-diol

C8H9FO2 — CID 45090634

IUPAC(1R)-1-(4-fluorophenyl)ethane-1,2-diol
SMILESOC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C8H9FO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1
InChIKeyNAALXDNDAVNHAC-QMMMGPOBSA-N
MW156.16 g/mol
LogP0.85
Rot. Bonds2

About (1R)-1-(4-fluorophenyl)ethane-1,2-diol

(1R)-1-(4-fluorophenyl)ethane-1,2-diol (PubChem CID 45090634) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)ethane-1,2-diol
PubChem CID45090634
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name(1R)-1-(4-fluorophenyl)ethane-1,2-diol
SMILESOC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C8H9FO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1
InChIKeyNAALXDNDAVNHAC-QMMMGPOBSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)ethane-1,2-diol?
The IUPAC name of (1R)-1-(4-fluorophenyl)ethane-1,2-diol (CID 45090634) is (1R)-1-(4-fluorophenyl)ethane-1,2-diol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)ethane-1,2-diol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)ethane-1,2-diol is OC[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)ethane-1,2-diol?
The InChIKey is NAALXDNDAVNHAC-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9FO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)ethane-1,2-diol?
(1R)-1-(4-fluorophenyl)ethane-1,2-diol has a molecular weight of 156.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)ethane-1,2-diol is sourced from PubChem (CID 45090634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).