2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol

C13H16F2O2 — CID 65149953

IUPAC2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol
SMILESOC(Cc1cccc(F)c1F)C1CCOCC1
InChIInChI=1S/C13H16F2O2/c14-11-3-1-2-10(13(11)15)8-12(16)9-4-6-17-7-5-9/h1-3,9,12,16H,4-8H2
InChIKeyVYCZDEHODSXHMP-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.29
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol

2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol (PubChem CID 65149953) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol
PubChem CID65149953
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol
SMILESOC(Cc1cccc(F)c1F)C1CCOCC1
InChIInChI=1S/C13H16F2O2/c14-11-3-1-2-10(13(11)15)8-12(16)9-4-6-17-7-5-9/h1-3,9,12,16H,4-8H2
InChIKeyVYCZDEHODSXHMP-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 115846974
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
2-amino-N-[2-(2,3-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120793248
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 104622655
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 115808969
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol (CID 65149953) is 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol is OC(Cc1cccc(F)c1F)C1CCOCC1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol?
The InChIKey is VYCZDEHODSXHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c14-11-3-1-2-10(13(11)15)8-12(16)9-4-6-17-7-5-9/h1-3,9,12,16H,4-8H2.
What are the key properties of 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol?
2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol has a molecular weight of 242.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 65149953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).