1-(2,6-difluorophenyl)ethanol

C8H8F2O — CID 5012075

IUPAC1-(2,6-difluorophenyl)ethanol
SMILESCC(O)c1c(F)cccc1F
InChIInChI=1S/C8H8F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
InChIKeySIYWDKQSSDBLOA-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.02
Rot. Bonds1

About 1-(2,6-difluorophenyl)ethanol

1-(2,6-difluorophenyl)ethanol (PubChem CID 5012075) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)ethanol
PubChem CID5012075
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name1-(2,6-difluorophenyl)ethanol
SMILESCC(O)c1c(F)cccc1F
InChIInChI=1S/C8H8F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
InChIKeySIYWDKQSSDBLOA-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
CID 84660540
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926
(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 55184318
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 43570328
(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 63836108
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)ethanol (CID 5012075) is 1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)ethanol is CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)ethanol?
The InChIKey is SIYWDKQSSDBLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3.
What are the key properties of 1-(2,6-difluorophenyl)ethanol?
1-(2,6-difluorophenyl)ethanol has a molecular weight of 158.15 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 5012075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).