4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride

C8H15ClF2N2O — CID 131067700

IUPAC4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride
SMILESCl.FC(F)C1CN(C2CNC2)CCO1
InChIInChI=1S/C8H14F2N2O.ClH/c9-8(10)7-5-12(1-2-13-7)6-3-11-4-6;/h6-8,11H,1-5H2;1H
InChIKeyGNJZTVDYIUHZLC-UHFFFAOYSA-N
MW228.67 g/mol
LogP0.35
Rot. Bonds2

About 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride

4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride (PubChem CID 131067700) has the molecular formula C8H15ClF2N2O and a molecular weight of 228.67 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride
PubChem CID131067700
Molecular FormulaC8H15ClF2N2O
Molecular Weight228.67 g/mol
Exact Mass228.08
IUPAC Name4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride
SMILESCl.FC(F)C1CN(C2CNC2)CCO1
InChIInChI=1S/C8H14F2N2O.ClH/c9-8(10)7-5-12(1-2-13-7)6-3-11-4-6;/h6-8,11H,1-5H2;1H
InChIKeyGNJZTVDYIUHZLC-UHFFFAOYSA-N
XLogP0.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride?
The IUPAC name of 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride (CID 131067700) is 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride?
The canonical SMILES for 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride is Cl.FC(F)C1CN(C2CNC2)CCO1.
What is the InChIKey of 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride?
The InChIKey is GNJZTVDYIUHZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O.ClH/c9-8(10)7-5-12(1-2-13-7)6-3-11-4-6;/h6-8,11H,1-5H2;1H.
What are the key properties of 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride?
4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride has a molecular weight of 228.67 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride is sourced from PubChem (CID 131067700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).