1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol

C12H14F2O2 — CID 103986582

IUPAC1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
SMILESOC(CC1CCOC1)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O2/c13-9-2-1-3-10(14)12(9)11(15)6-8-4-5-16-7-8/h1-3,8,11,15H,4-7H2
InChIKeyVSYDRFGRYDNCHQ-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.42
Rot. Bonds3

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

1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol (PubChem CID 103986582) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
PubChem CID103986582
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
SMILESOC(CC1CCOC1)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O2/c13-9-2-1-3-10(14)12(9)11(15)6-8-4-5-16-7-8/h1-3,8,11,15H,4-7H2
InChIKeyVSYDRFGRYDNCHQ-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410
1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
CID 63711662
3-cyclopropyl-1-(2,6-difluorophenyl)propan-1-ol
CID 79522397
1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol
CID 115891595
1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113411965
1-naphthalen-2-yl-2-(oxolan-3-yl)ethanol
CID 113362057
1-(5-fluoro-3-pyridinyl)-2-(oxolan-3-yl)ethanol
CID 103986451
(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol
CID 78948278
1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol
CID 114602446
1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
CID 102831550
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol (CID 103986582) is 1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol is OC(CC1CCOC1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol?
The InChIKey is VSYDRFGRYDNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-9-2-1-3-10(14)12(9)11(15)6-8-4-5-16-7-8/h1-3,8,11,15H,4-7H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol?
1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol has a molecular weight of 228.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol is sourced from PubChem (CID 103986582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).