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

C6H11F2NO — CID 166638451

IUPAC[1-(2,2-difluoroethyl)azetidin-2-yl]methanol
SMILESOCC1CCN1CC(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)3-9-2-1-5(9)4-10/h5-6,10H,1-4H2
InChIKeyJBIDODZVMVOUMA-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.32
Rot. Bonds3

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

[1-(2,2-difluoroethyl)azetidin-2-yl]methanol (PubChem CID 166638451) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)azetidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)azetidin-2-yl]methanol
PubChem CID166638451
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name[1-(2,2-difluoroethyl)azetidin-2-yl]methanol
SMILESOCC1CCN1CC(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)3-9-2-1-5(9)4-10/h5-6,10H,1-4H2
InChIKeyJBIDODZVMVOUMA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)azetidin-2-yl]methanol?
The IUPAC name of [1-(2,2-difluoroethyl)azetidin-2-yl]methanol (CID 166638451) is [1-(2,2-difluoroethyl)azetidin-2-yl]methanol.
What is the SMILES notation for [1-(2,2-difluoroethyl)azetidin-2-yl]methanol?
The canonical SMILES for [1-(2,2-difluoroethyl)azetidin-2-yl]methanol is OCC1CCN1CC(F)F.
What is the InChIKey of [1-(2,2-difluoroethyl)azetidin-2-yl]methanol?
The InChIKey is JBIDODZVMVOUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)3-9-2-1-5(9)4-10/h5-6,10H,1-4H2.
What are the key properties of [1-(2,2-difluoroethyl)azetidin-2-yl]methanol?
[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 [1-(2,2-difluoroethyl)azetidin-2-yl]methanol is sourced from PubChem (CID 166638451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).