(1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol

C8H5F5O — CID 7014870

IUPAC(1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
SMILESC[C@@H](O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3/t2-/m1/s1
InChIKeyWYUNHWKTLDBPLE-UWTATZPHSA-N
MW212.12 g/mol
LogP2.44
Rot. Bonds1

About (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol

(1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol (PubChem CID 7014870) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
PubChem CID7014870
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name(1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
SMILESC[C@@H](O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3/t2-/m1/s1
InChIKeyWYUNHWKTLDBPLE-UWTATZPHSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
The IUPAC name of (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol (CID 7014870) is (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol.
What is the SMILES notation for (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
The canonical SMILES for (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol is C[C@@H](O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
The InChIKey is WYUNHWKTLDBPLE-UWTATZPHSA-N. The full InChI is InChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3/t2-/m1/s1.
What are the key properties of (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
(1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol has a molecular weight of 212.12 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3,4,5,6-pentafluorophenyl)ethanol is sourced from PubChem (CID 7014870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).