3-(difluoromethoxy)azetidine;hydrochloride

C4H8ClF2NO — CID 75481664

IUPAC3-(difluoromethoxy)azetidine;hydrochloride
SMILESCl.FC(F)OC1CNC1
InChIInChI=1S/C4H7F2NO.ClH/c5-4(6)8-3-1-7-2-3;/h3-4,7H,1-2H2;1H
InChIKeyKUIKFEDNGUTEFR-UHFFFAOYSA-N
MW159.56 g/mol
LogP0.62
Rot. Bonds2

About 3-(difluoromethoxy)azetidine;hydrochloride

3-(difluoromethoxy)azetidine;hydrochloride (PubChem CID 75481664) has the molecular formula C4H8ClF2NO and a molecular weight of 159.56 g/mol. Its IUPAC name is 3-(difluoromethoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethoxy)azetidine;hydrochloride
PubChem CID75481664
Molecular FormulaC4H8ClF2NO
Molecular Weight159.56 g/mol
Exact Mass159.03
IUPAC Name3-(difluoromethoxy)azetidine;hydrochloride
SMILESCl.FC(F)OC1CNC1
InChIInChI=1S/C4H7F2NO.ClH/c5-4(6)8-3-1-7-2-3;/h3-4,7H,1-2H2;1H
InChIKeyKUIKFEDNGUTEFR-UHFFFAOYSA-N
XLogP0.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.56
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)azetidine;hydrochloride?
The IUPAC name of 3-(difluoromethoxy)azetidine;hydrochloride (CID 75481664) is 3-(difluoromethoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(difluoromethoxy)azetidine;hydrochloride?
The canonical SMILES for 3-(difluoromethoxy)azetidine;hydrochloride is Cl.FC(F)OC1CNC1.
What is the InChIKey of 3-(difluoromethoxy)azetidine;hydrochloride?
The InChIKey is KUIKFEDNGUTEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO.ClH/c5-4(6)8-3-1-7-2-3;/h3-4,7H,1-2H2;1H.
What are the key properties of 3-(difluoromethoxy)azetidine;hydrochloride?
3-(difluoromethoxy)azetidine;hydrochloride has a molecular weight of 159.56 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)azetidine;hydrochloride is sourced from PubChem (CID 75481664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).