4-morpholin-4-ylbutyl 2,2-difluoropropanoate

C11H19F2NO3 — CID 58341555

IUPAC4-morpholin-4-ylbutyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCN1CCOCC1
InChIInChI=1S/C11H19F2NO3/c1-11(12,13)10(15)17-7-3-2-4-14-5-8-16-9-6-14/h2-9H2,1H3
InChIKeyUFPOLDRUBQTYIM-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.30
Rot. Bonds6

About 4-morpholin-4-ylbutyl 2,2-difluoropropanoate

4-morpholin-4-ylbutyl 2,2-difluoropropanoate (PubChem CID 58341555) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-morpholin-4-ylbutyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name4-morpholin-4-ylbutyl 2,2-difluoropropanoate
PubChem CID58341555
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name4-morpholin-4-ylbutyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCN1CCOCC1
InChIInChI=1S/C11H19F2NO3/c1-11(12,13)10(15)17-7-3-2-4-14-5-8-16-9-6-14/h2-9H2,1H3
InChIKeyUFPOLDRUBQTYIM-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-morpholin-4-ylbutyl 2,2-difluoropropanoate?
The IUPAC name of 4-morpholin-4-ylbutyl 2,2-difluoropropanoate (CID 58341555) is 4-morpholin-4-ylbutyl 2,2-difluoropropanoate.
What is the SMILES notation for 4-morpholin-4-ylbutyl 2,2-difluoropropanoate?
The canonical SMILES for 4-morpholin-4-ylbutyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCCCCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbutyl 2,2-difluoropropanoate?
The InChIKey is UFPOLDRUBQTYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-11(12,13)10(15)17-7-3-2-4-14-5-8-16-9-6-14/h2-9H2,1H3.
What are the key properties of 4-morpholin-4-ylbutyl 2,2-difluoropropanoate?
4-morpholin-4-ylbutyl 2,2-difluoropropanoate has a molecular weight of 251.27 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutyl 2,2-difluoropropanoate is sourced from PubChem (CID 58341555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).