2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol

C13H16F2O2 — CID 105412847

IUPAC2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)C1CCCCO1
InChIInChI=1S/C13H16F2O2/c14-10-5-9(6-11(15)8-10)7-12(16)13-3-1-2-4-17-13/h5-6,8,12-13,16H,1-4,7H2
InChIKeyLFLFIGZGBNWLDG-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.44
Rot. Bonds3

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

2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol (PubChem CID 105412847) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol
PubChem CID105412847
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)C1CCCCO1
InChIInChI=1S/C13H16F2O2/c14-10-5-9(6-11(15)8-10)7-12(16)13-3-1-2-4-17-13/h5-6,8,12-13,16H,1-4,7H2
InChIKeyLFLFIGZGBNWLDG-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787220
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
CID 65331645
2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491
2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331133
2-(furan-3-yl)-1-(oxolan-2-yl)ethanol
CID 83172570
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907
2-naphthalen-1-yl-1-(oxan-2-yl)ethanol
CID 115784699
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol (CID 105412847) is 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol is OC(Cc1cc(F)cc(F)c1)C1CCCCO1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol?
The InChIKey is LFLFIGZGBNWLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c14-10-5-9(6-11(15)8-10)7-12(16)13-3-1-2-4-17-13/h5-6,8,12-13,16H,1-4,7H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol?
2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol has a molecular weight of 242.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol is sourced from PubChem (CID 105412847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).