[3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone

C8H11F2NO2 — CID 130734556

IUPAC[3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone
SMILESO=C(C1COC1)N1CC(C(F)F)C1
InChIInChI=1S/C8H11F2NO2/c9-7(10)5-1-11(2-5)8(12)6-3-13-4-6/h5-7H,1-4H2
InChIKeyFUQNVTVZBZLUCE-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.36
Rot. Bonds2

About [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone

[3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone (PubChem CID 130734556) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone
PubChem CID130734556
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name[3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone
SMILESO=C(C1COC1)N1CC(C(F)F)C1
InChIInChI=1S/C8H11F2NO2/c9-7(10)5-1-11(2-5)8(12)6-3-13-4-6/h5-7H,1-4H2
InChIKeyFUQNVTVZBZLUCE-UHFFFAOYSA-N
XLogP0.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone?
The IUPAC name of [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone (CID 130734556) is [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone.
What is the SMILES notation for [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone?
The canonical SMILES for [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone is O=C(C1COC1)N1CC(C(F)F)C1.
What is the InChIKey of [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone?
The InChIKey is FUQNVTVZBZLUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-7(10)5-1-11(2-5)8(12)6-3-13-4-6/h5-7H,1-4H2.
What are the key properties of [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone?
[3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone has a molecular weight of 191.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)azetidin-1-yl]-(oxetan-3-yl)methanone is sourced from PubChem (CID 130734556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).