4-(difluoromethyl)morpholine

C5H9F2NO — CID 10329349

IUPAC4-(difluoromethyl)morpholine
SMILESFC(F)N1CCOCC1
InChIInChI=1S/C5H9F2NO/c6-5(7)8-1-3-9-4-2-8/h5H,1-4H2
InChIKeyGXYSGXQCYCTENJ-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.54
Rot. Bonds1

About 4-(difluoromethyl)morpholine

4-(difluoromethyl)morpholine (PubChem CID 10329349) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 4-(difluoromethyl)morpholine.

Molecular Properties

Compound Name4-(difluoromethyl)morpholine
PubChem CID10329349
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name4-(difluoromethyl)morpholine
SMILESFC(F)N1CCOCC1
InChIInChI=1S/C5H9F2NO/c6-5(7)8-1-3-9-4-2-8/h5H,1-4H2
InChIKeyGXYSGXQCYCTENJ-UHFFFAOYSA-N
XLogP0.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)morpholine?
The IUPAC name of 4-(difluoromethyl)morpholine (CID 10329349) is 4-(difluoromethyl)morpholine.
What is the SMILES notation for 4-(difluoromethyl)morpholine?
The canonical SMILES for 4-(difluoromethyl)morpholine is FC(F)N1CCOCC1.
What is the InChIKey of 4-(difluoromethyl)morpholine?
The InChIKey is GXYSGXQCYCTENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)8-1-3-9-4-2-8/h5H,1-4H2.
What are the key properties of 4-(difluoromethyl)morpholine?
4-(difluoromethyl)morpholine has a molecular weight of 137.13 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)morpholine is sourced from PubChem (CID 10329349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).