3-(difluoromethoxy)azetidin-1-ium

C4H8F2NO+ — CID 144666939

IUPAC3-(difluoromethoxy)azetidin-1-ium
SMILESFC(F)OC1C[NH2+]C1
InChIInChI=1S/C4H7F2NO/c5-4(6)8-3-1-7-2-3/h3-4,7H,1-2H2/p+1
InChIKeyDRBMDELQCZMFKH-UHFFFAOYSA-O
MW124.11 g/mol
LogP-0.83
Rot. Bonds2

About 3-(difluoromethoxy)azetidin-1-ium

3-(difluoromethoxy)azetidin-1-ium (PubChem CID 144666939) has the molecular formula C4H8F2NO+ and a molecular weight of 124.11 g/mol. Its IUPAC name is 3-(difluoromethoxy)azetidin-1-ium.

Molecular Properties

Compound Name3-(difluoromethoxy)azetidin-1-ium
PubChem CID144666939
Molecular FormulaC4H8F2NO+
Molecular Weight124.11 g/mol
Exact Mass124.06
IUPAC Name3-(difluoromethoxy)azetidin-1-ium
SMILESFC(F)OC1C[NH2+]C1
InChIInChI=1S/C4H7F2NO/c5-4(6)8-3-1-7-2-3/h3-4,7H,1-2H2/p+1
InChIKeyDRBMDELQCZMFKH-UHFFFAOYSA-O
XLogP-0.83
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.11
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)azetidin-1-ium?
The IUPAC name of 3-(difluoromethoxy)azetidin-1-ium (CID 144666939) is 3-(difluoromethoxy)azetidin-1-ium.
What is the SMILES notation for 3-(difluoromethoxy)azetidin-1-ium?
The canonical SMILES for 3-(difluoromethoxy)azetidin-1-ium is FC(F)OC1C[NH2+]C1.
What is the InChIKey of 3-(difluoromethoxy)azetidin-1-ium?
The InChIKey is DRBMDELQCZMFKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7F2NO/c5-4(6)8-3-1-7-2-3/h3-4,7H,1-2H2/p+1.
What are the key properties of 3-(difluoromethoxy)azetidin-1-ium?
3-(difluoromethoxy)azetidin-1-ium has a molecular weight of 124.11 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)azetidin-1-ium is sourced from PubChem (CID 144666939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).