1-(2-chloro-6-fluorophenyl)ethanol

C8H8ClFO — CID 13304279

IUPAC1-(2-chloro-6-fluorophenyl)ethanol
SMILESCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
InChIKeyXOKZEMDWMJPKRO-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.53
Rot. Bonds1

About 1-(2-chloro-6-fluorophenyl)ethanol

1-(2-chloro-6-fluorophenyl)ethanol (PubChem CID 13304279) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)ethanol
PubChem CID13304279
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name1-(2-chloro-6-fluorophenyl)ethanol
SMILESCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
InChIKeyXOKZEMDWMJPKRO-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)ethanol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)ethanol (CID 13304279) is 1-(2-chloro-6-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)ethanol is CC(O)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)ethanol?
The InChIKey is XOKZEMDWMJPKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)ethanol?
1-(2-chloro-6-fluorophenyl)ethanol has a molecular weight of 174.60 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)ethanol is sourced from PubChem (CID 13304279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).