2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone

C6H9F2NO2 — CID 103513953

IUPAC2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CC(CO)C1
InChIInChI=1S/C6H9F2NO2/c7-5(8)6(11)9-1-4(2-9)3-10/h4-5,10H,1-3H2
InChIKeyUCLDAOJSVLFPRO-UHFFFAOYSA-N
MW165.14 g/mol
LogP-0.30
Rot. Bonds2

About 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone

2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone (PubChem CID 103513953) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
PubChem CID103513953
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CC(CO)C1
InChIInChI=1S/C6H9F2NO2/c7-5(8)6(11)9-1-4(2-9)3-10/h4-5,10H,1-3H2
InChIKeyUCLDAOJSVLFPRO-UHFFFAOYSA-N
XLogP-0.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone (CID 103513953) is 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone is O=C(C(F)F)N1CC(CO)C1.
What is the InChIKey of 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone?
The InChIKey is UCLDAOJSVLFPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-5(8)6(11)9-1-4(2-9)3-10/h4-5,10H,1-3H2.
What are the key properties of 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone?
2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone has a molecular weight of 165.14 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 103513953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).