2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol

C16H22F2O2 — CID 115838834

IUPAC2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC1(C)CC(C(O)Cc2c(F)cccc2F)C(C)(C)O1
InChIInChI=1S/C16H22F2O2/c1-15(2)9-11(16(3,4)20-15)14(19)8-10-12(17)6-5-7-13(10)18/h5-7,11,14,19H,8-9H2,1-4H3
InChIKeyZNTWXJIFZILWOK-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.46
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol

2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (PubChem CID 115838834) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
PubChem CID115838834
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC1(C)CC(C(O)Cc2c(F)cccc2F)C(C)(C)O1
InChIInChI=1S/C16H22F2O2/c1-15(2)9-11(16(3,4)20-15)14(19)8-10-12(17)6-5-7-13(10)18/h5-7,11,14,19H,8-9H2,1-4H3
InChIKeyZNTWXJIFZILWOK-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622732
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114885572
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105132010
2-(2,3-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052763
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 105131997
2-[2-chloro-2-(2,2-dimethylcyclopropyl)ethyl]-1,3-difluorobenzene
CID 107003151

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (CID 115838834) is 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is CC1(C)CC(C(O)Cc2c(F)cccc2F)C(C)(C)O1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The InChIKey is ZNTWXJIFZILWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-15(2)9-11(16(3,4)20-15)14(19)8-10-12(17)6-5-7-13(10)18/h5-7,11,14,19H,8-9H2,1-4H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol has a molecular weight of 284.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is sourced from PubChem (CID 115838834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).