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

C8H14F2N2O — CID 131067701

IUPAC4-(azetidin-3-yl)-2-(difluoromethyl)morpholine
SMILESFC(F)C1CN(C2CNC2)CCO1
InChIInChI=1S/C8H14F2N2O/c9-8(10)7-5-12(1-2-13-7)6-3-11-4-6/h6-8,11H,1-5H2
InChIKeyWUDYRDHVQSHASA-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.08
Rot. Bonds2

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

4-(azetidin-3-yl)-2-(difluoromethyl)morpholine (PubChem CID 131067701) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-(difluoromethyl)morpholine
PubChem CID131067701
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name4-(azetidin-3-yl)-2-(difluoromethyl)morpholine
SMILESFC(F)C1CN(C2CNC2)CCO1
InChIInChI=1S/C8H14F2N2O/c9-8(10)7-5-12(1-2-13-7)6-3-11-4-6/h6-8,11H,1-5H2
InChIKeyWUDYRDHVQSHASA-UHFFFAOYSA-N
XLogP-0.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.08
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?
The IUPAC name of 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine (CID 131067701) is 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine.
What is the SMILES notation for 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine?
The canonical SMILES for 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine is FC(F)C1CN(C2CNC2)CCO1.
What is the InChIKey of 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine?
The InChIKey is WUDYRDHVQSHASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c9-8(10)7-5-12(1-2-13-7)6-3-11-4-6/h6-8,11H,1-5H2.
What are the key properties of 4-(azetidin-3-yl)-2-(difluoromethyl)morpholine?
4-(azetidin-3-yl)-2-(difluoromethyl)morpholine has a molecular weight of 192.21 g/mol, XLogP of -0.08, 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 is sourced from PubChem (CID 131067701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).