2-[3-(difluoromethoxy)azetidin-1-yl]ethanol

C6H11F2NO2 — CID 131227819

IUPAC2-[3-(difluoromethoxy)azetidin-1-yl]ethanol
SMILESOCCN1CC(OC(F)F)C1
InChIInChI=1S/C6H11F2NO2/c7-6(8)11-5-3-9(4-5)1-2-10/h5-6,10H,1-4H2
InChIKeyOTTGGTOOQCAUMB-UHFFFAOYSA-N
MW167.15 g/mol
LogP-0.10
Rot. Bonds4

About 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol

2-[3-(difluoromethoxy)azetidin-1-yl]ethanol (PubChem CID 131227819) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)azetidin-1-yl]ethanol
PubChem CID131227819
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name2-[3-(difluoromethoxy)azetidin-1-yl]ethanol
SMILESOCCN1CC(OC(F)F)C1
InChIInChI=1S/C6H11F2NO2/c7-6(8)11-5-3-9(4-5)1-2-10/h5-6,10H,1-4H2
InChIKeyOTTGGTOOQCAUMB-UHFFFAOYSA-N
XLogP-0.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol?
The IUPAC name of 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol (CID 131227819) is 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol is OCCN1CC(OC(F)F)C1.
What is the InChIKey of 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol?
The InChIKey is OTTGGTOOQCAUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-6(8)11-5-3-9(4-5)1-2-10/h5-6,10H,1-4H2.
What are the key properties of 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol?
2-[3-(difluoromethoxy)azetidin-1-yl]ethanol has a molecular weight of 167.15 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)azetidin-1-yl]ethanol is sourced from PubChem (CID 131227819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).