4-[4-(2,2-difluoropropoxy)butyl]morpholine

C11H21F2NO2 — CID 58341589

IUPAC4-[4-(2,2-difluoropropoxy)butyl]morpholine
SMILESCC(F)(F)COCCCCN1CCOCC1
InChIInChI=1S/C11H21F2NO2/c1-11(12,13)10-16-7-3-2-4-14-5-8-15-9-6-14/h2-10H2,1H3
InChIKeyZWZOXJWXPYIHFC-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.77
Rot. Bonds7

About 4-[4-(2,2-difluoropropoxy)butyl]morpholine

4-[4-(2,2-difluoropropoxy)butyl]morpholine (PubChem CID 58341589) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-[4-(2,2-difluoropropoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(2,2-difluoropropoxy)butyl]morpholine
PubChem CID58341589
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name4-[4-(2,2-difluoropropoxy)butyl]morpholine
SMILESCC(F)(F)COCCCCN1CCOCC1
InChIInChI=1S/C11H21F2NO2/c1-11(12,13)10-16-7-3-2-4-14-5-8-15-9-6-14/h2-10H2,1H3
InChIKeyZWZOXJWXPYIHFC-UHFFFAOYSA-N
XLogP1.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoropropoxy)butyl]morpholine?
The IUPAC name of 4-[4-(2,2-difluoropropoxy)butyl]morpholine (CID 58341589) is 4-[4-(2,2-difluoropropoxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(2,2-difluoropropoxy)butyl]morpholine?
The canonical SMILES for 4-[4-(2,2-difluoropropoxy)butyl]morpholine is CC(F)(F)COCCCCN1CCOCC1.
What is the InChIKey of 4-[4-(2,2-difluoropropoxy)butyl]morpholine?
The InChIKey is ZWZOXJWXPYIHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-11(12,13)10-16-7-3-2-4-14-5-8-15-9-6-14/h2-10H2,1H3.
What are the key properties of 4-[4-(2,2-difluoropropoxy)butyl]morpholine?
4-[4-(2,2-difluoropropoxy)butyl]morpholine has a molecular weight of 237.29 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoropropoxy)butyl]morpholine is sourced from PubChem (CID 58341589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).