1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine

C7H12F2N2O — CID 130804622

IUPAC1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine
SMILESFC(F)OC1CN(C2CNC2)C1
InChIInChI=1S/C7H12F2N2O/c8-7(9)12-6-3-11(4-6)5-1-10-2-5/h5-7,10H,1-4H2
InChIKeyKSWHYEZAVRUDHZ-UHFFFAOYSA-N
MW178.18 g/mol
LogP-0.12
Rot. Bonds3

About 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine

1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine (PubChem CID 130804622) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine
PubChem CID130804622
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine
SMILESFC(F)OC1CN(C2CNC2)C1
InChIInChI=1S/C7H12F2N2O/c8-7(9)12-6-3-11(4-6)5-1-10-2-5/h5-7,10H,1-4H2
InChIKeyKSWHYEZAVRUDHZ-UHFFFAOYSA-N
XLogP-0.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,2,2-Trifluoroethoxy)ethyl]azetidin-3-amine
CID 63761124
1-[2-(Trifluoromethoxy)ethyl]azetidin-3-amine
CID 65804353
N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine
CID 66188305
4-(Azetidin-3-yl)-2-(difluoromethyl)morpholine
CID 131067701
1-{1-[2-(Trifluoromethoxy)ethyl]azetidin-2-yl}methanamine
CID 165607180
1-(1-Methanidylazetidin-1-ium-3-yl)-3-methoxyazetidine
CID 57868288
3-Methoxy-1,3'-biazetidine
CID 89434796

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine?
The IUPAC name of 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine (CID 130804622) is 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine.
What is the SMILES notation for 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine?
The canonical SMILES for 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine is FC(F)OC1CN(C2CNC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine?
The InChIKey is KSWHYEZAVRUDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c8-7(9)12-6-3-11(4-6)5-1-10-2-5/h5-7,10H,1-4H2.
What are the key properties of 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine?
1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine has a molecular weight of 178.18 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-(difluoromethoxy)azetidine is sourced from PubChem (CID 130804622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).