[(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol

C6H11F2NO — CID 164875804

IUPAC[(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol
SMILESOC[C@@H]1CCN1CC(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)3-9-2-1-5(9)4-10/h5-6,10H,1-4H2/t5-/m0/s1
InChIKeyJBIDODZVMVOUMA-YFKPBYRVSA-N
MW151.16 g/mol
LogP0.32
Rot. Bonds3

About [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol

[(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol (PubChem CID 164875804) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol
PubChem CID164875804
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name[(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol
SMILESOC[C@@H]1CCN1CC(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)3-9-2-1-5(9)4-10/h5-6,10H,1-4H2/t5-/m0/s1
InChIKeyJBIDODZVMVOUMA-YFKPBYRVSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Methylazetidin-2-yl)methanol
CID 54144903
2-(3,3-Difluoroazetidin-1-yl)ethan-1-ol
CID 118169775
2-[2-(Fluoromethyl)azetidin-1-yl]ethanol
CID 131988988
2-(3,3-Difluoroazetidin-1-yl)propane-1,3-diol
CID 137515685
[1-(2,2-Difluoroethyl)azetidin-2-YL]methanol
CID 166638451
Potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate
CID 170601919
[1-(2,2,2-Trifluoroethyl)azetidin-2-yl]methanol
CID 170601920
[(2S)-1-(2-fluoroethyl)azetidin-2-yl]methanol
CID 175894593
(1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane
CID 176946781
(2R,3S)-1-propan-2-yl-2-(trifluoromethyl)azetidin-3-ol
CID 178449389
[(2R,3R)-3-fluoro-1-methylazetidin-2-yl]methanol
CID 179049979
[1-(Propan-2-yl)azetidin-2-yl]methanol
CID 282394

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol (CID 164875804) is [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol is OC[C@@H]1CCN1CC(F)F.
What is the InChIKey of [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol?
The InChIKey is JBIDODZVMVOUMA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)3-9-2-1-5(9)4-10/h5-6,10H,1-4H2/t5-/m0/s1.
What are the key properties of [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol?
[(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol has a molecular weight of 151.16 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,2-difluoroethyl)azetidin-2-yl]methanol is sourced from PubChem (CID 164875804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).