2-(azetidin-3-yl)-2,2-difluoroethanol

C5H9F2NO — CID 105427903

IUPAC2-(azetidin-3-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)C1CNC1
InChIInChI=1S/C5H9F2NO/c6-5(7,3-9)4-1-8-2-4/h4,8-9H,1-3H2
InChIKeyDQWQVLBIRTYHKM-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.17
Rot. Bonds2

About 2-(azetidin-3-yl)-2,2-difluoroethanol

2-(azetidin-3-yl)-2,2-difluoroethanol (PubChem CID 105427903) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(azetidin-3-yl)-2,2-difluoroethanol
PubChem CID105427903
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name2-(azetidin-3-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)C1CNC1
InChIInChI=1S/C5H9F2NO/c6-5(7,3-9)4-1-8-2-4/h4,8-9H,1-3H2
InChIKeyDQWQVLBIRTYHKM-UHFFFAOYSA-N
XLogP-0.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Azetidin-3-yl)ethan-1-ol
CID 19888391
2-(Azetidin-3-yl)ethan-1-ol hydrochloride
CID 55288038
1-(Azetidin-3-yl)-2,2,2-trifluoroethan-1-ol
CID 91623722
1-(Azetidin-3-yl)-2,2,2-trifluoro-ethanol hydrochloride
CID 135393389
[3,3-Difluoro-2-(hydroxymethyl)butyl]-methylazanium
CID 153565684
[2-(Difluoromethyl)azetidin-2-yl]methanol
CID 176377747
3-[2-(Difluoromethoxy)ethyl]azetidine
CID 176407936
[(2S,3S)-3-(trifluoromethyl)azetidin-2-yl]methanol
CID 178540508
4-(2,2-Difluoroethylamino)-3-methylbutan-1-ol
CID 66091631
3-Methyl-4-(2,2,2-trifluoroethylamino)butan-1-ol
CID 66092330
3-Methyl-4-(3,3,3-trifluoropropylamino)butan-1-ol
CID 66107697
3-[2-(2,2,2-Trifluoroethoxy)ethyl]azetidine
CID 79452315

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(azetidin-3-yl)-2,2-difluoroethanol (CID 105427903) is 2-(azetidin-3-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(azetidin-3-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(azetidin-3-yl)-2,2-difluoroethanol is OCC(F)(F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-2,2-difluoroethanol?
The InChIKey is DQWQVLBIRTYHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7,3-9)4-1-8-2-4/h4,8-9H,1-3H2.
What are the key properties of 2-(azetidin-3-yl)-2,2-difluoroethanol?
2-(azetidin-3-yl)-2,2-difluoroethanol has a molecular weight of 137.13 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-2,2-difluoroethanol is sourced from PubChem (CID 105427903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).