1-(2,2-difluoroethyl)azetidin-3-ol

C5H9F2NO — CID 63282692

IUPAC1-(2,2-difluoroethyl)azetidin-3-ol
SMILESOC1CN(CC(F)F)C1
InChIInChI=1S/C5H9F2NO/c6-5(7)3-8-1-4(9)2-8/h4-5,9H,1-3H2
InChIKeyAFFUELFVQBGZBC-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.07
Rot. Bonds2

About 1-(2,2-difluoroethyl)azetidin-3-ol

1-(2,2-difluoroethyl)azetidin-3-ol (PubChem CID 63282692) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)azetidin-3-ol
PubChem CID63282692
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name1-(2,2-difluoroethyl)azetidin-3-ol
SMILESOC1CN(CC(F)F)C1
InChIInChI=1S/C5H9F2NO/c6-5(7)3-8-1-4(9)2-8/h4-5,9H,1-3H2
InChIKeyAFFUELFVQBGZBC-UHFFFAOYSA-N
XLogP-0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.07
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-3-ol?
The IUPAC name of 1-(2,2-difluoroethyl)azetidin-3-ol (CID 63282692) is 1-(2,2-difluoroethyl)azetidin-3-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)azetidin-3-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)azetidin-3-ol is OC1CN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)azetidin-3-ol?
The InChIKey is AFFUELFVQBGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)3-8-1-4(9)2-8/h4-5,9H,1-3H2.
What are the key properties of 1-(2,2-difluoroethyl)azetidin-3-ol?
1-(2,2-difluoroethyl)azetidin-3-ol has a molecular weight of 137.13 g/mol, XLogP of -0.07, 2 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-3-ol is sourced from PubChem (CID 63282692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).