[3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone

C10H15F2NO2 — CID 126791072

IUPAC[3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone
SMILESCC1(C(=O)N2CC(CC(F)F)C2)COC1
InChIInChI=1S/C10H15F2NO2/c1-10(5-15-6-10)9(14)13-3-7(4-13)2-8(11)12/h7-8H,2-6H2,1H3
InChIKeyLXJZEZNZTHNHEC-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.14
Rot. Bonds3

About [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone

[3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone (PubChem CID 126791072) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone.

Molecular Properties

Compound Name[3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone
PubChem CID126791072
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name[3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone
SMILESCC1(C(=O)N2CC(CC(F)F)C2)COC1
InChIInChI=1S/C10H15F2NO2/c1-10(5-15-6-10)9(14)13-3-7(4-13)2-8(11)12/h7-8H,2-6H2,1H3
InChIKeyLXJZEZNZTHNHEC-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone?
The IUPAC name of [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone (CID 126791072) is [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone.
What is the SMILES notation for [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone?
The canonical SMILES for [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone is CC1(C(=O)N2CC(CC(F)F)C2)COC1.
What is the InChIKey of [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone?
The InChIKey is LXJZEZNZTHNHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-10(5-15-6-10)9(14)13-3-7(4-13)2-8(11)12/h7-8H,2-6H2,1H3.
What are the key properties of [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone?
[3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone has a molecular weight of 219.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethyl)azetidin-1-yl]-(3-methyloxetan-3-yl)methanone is sourced from PubChem (CID 126791072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).