morpholine-4-carbonyl fluoride

C5H8FNO2 — CID 12592126

IUPACmorpholine-4-carbonyl fluoride
SMILESO=C(F)N1CCOCC1
InChIInChI=1S/C5H8FNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2
InChIKeyRVZHTPNIIQLANL-UHFFFAOYSA-N
MW133.12 g/mol
LogP0.41
Rot. Bonds

About morpholine-4-carbonyl fluoride

morpholine-4-carbonyl fluoride (PubChem CID 12592126) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is morpholine-4-carbonyl fluoride.

Molecular Properties

Compound Namemorpholine-4-carbonyl fluoride
PubChem CID12592126
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Namemorpholine-4-carbonyl fluoride
SMILESO=C(F)N1CCOCC1
InChIInChI=1S/C5H8FNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2
InChIKeyRVZHTPNIIQLANL-UHFFFAOYSA-N
XLogP0.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze morpholine-4-carbonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholine-4-carbonyl fluoride?
The IUPAC name of morpholine-4-carbonyl fluoride (CID 12592126) is morpholine-4-carbonyl fluoride.
What is the SMILES notation for morpholine-4-carbonyl fluoride?
The canonical SMILES for morpholine-4-carbonyl fluoride is O=C(F)N1CCOCC1.
What is the InChIKey of morpholine-4-carbonyl fluoride?
The InChIKey is RVZHTPNIIQLANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2.
What are the key properties of morpholine-4-carbonyl fluoride?
morpholine-4-carbonyl fluoride has a molecular weight of 133.12 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbonyl fluoride is sourced from PubChem (CID 12592126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).