4-[12-(2,2-difluoropropoxy)dodecyl]morpholine

C19H37F2NO2 — CID 58341574

IUPAC4-[12-(2,2-difluoropropoxy)dodecyl]morpholine
SMILESCC(F)(F)COCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C19H37F2NO2/c1-19(20,21)18-24-15-11-9-7-5-3-2-4-6-8-10-12-22-13-16-23-17-14-22/h2-18H2,1H3
InChIKeyQZXSVCQSWDAADB-UHFFFAOYSA-N
MW349.51 g/mol
LogP4.89
Rot. Bonds15

About 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine

4-[12-(2,2-difluoropropoxy)dodecyl]morpholine (PubChem CID 58341574) has the molecular formula C19H37F2NO2 and a molecular weight of 349.51 g/mol. Its IUPAC name is 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine.

Molecular Properties

Compound Name4-[12-(2,2-difluoropropoxy)dodecyl]morpholine
PubChem CID58341574
Molecular FormulaC19H37F2NO2
Molecular Weight349.51 g/mol
Exact Mass349.28
IUPAC Name4-[12-(2,2-difluoropropoxy)dodecyl]morpholine
SMILESCC(F)(F)COCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C19H37F2NO2/c1-19(20,21)18-24-15-11-9-7-5-3-2-4-6-8-10-12-22-13-16-23-17-14-22/h2-18H2,1H3
InChIKeyQZXSVCQSWDAADB-UHFFFAOYSA-N
XLogP4.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine 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 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine?
The IUPAC name of 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine (CID 58341574) is 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine.
What is the SMILES notation for 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine?
The canonical SMILES for 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine is CC(F)(F)COCCCCCCCCCCCCN1CCOCC1.
What is the InChIKey of 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine?
The InChIKey is QZXSVCQSWDAADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37F2NO2/c1-19(20,21)18-24-15-11-9-7-5-3-2-4-6-8-10-12-22-13-16-23-17-14-22/h2-18H2,1H3.
What are the key properties of 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine?
4-[12-(2,2-difluoropropoxy)dodecyl]morpholine has a molecular weight of 349.51 g/mol, XLogP of 4.89, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-(2,2-difluoropropoxy)dodecyl]morpholine is sourced from PubChem (CID 58341574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).