4-(trifluoromethyl)morpholine

C5H8F3NO — CID 12654528

IUPAC4-(trifluoromethyl)morpholine
SMILESFC(F)(F)N1CCOCC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)9-1-3-10-4-2-9/h1-4H2
InChIKeyBIGKRNVPITVXFS-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.84
Rot. Bonds

About 4-(trifluoromethyl)morpholine

4-(trifluoromethyl)morpholine (PubChem CID 12654528) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(trifluoromethyl)morpholine
PubChem CID12654528
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name4-(trifluoromethyl)morpholine
SMILESFC(F)(F)N1CCOCC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)9-1-3-10-4-2-9/h1-4H2
InChIKeyBIGKRNVPITVXFS-UHFFFAOYSA-N
XLogP0.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.84
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-(trifluoromethyl)morpholine?
The IUPAC name of 4-(trifluoromethyl)morpholine (CID 12654528) is 4-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(trifluoromethyl)morpholine is FC(F)(F)N1CCOCC1.
What is the InChIKey of 4-(trifluoromethyl)morpholine?
The InChIKey is BIGKRNVPITVXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)9-1-3-10-4-2-9/h1-4H2.
What are the key properties of 4-(trifluoromethyl)morpholine?
4-(trifluoromethyl)morpholine has a molecular weight of 155.12 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)morpholine is sourced from PubChem (CID 12654528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).