8-morpholin-4-yloctyl 2,2-difluoropropanoate

C15H27F2NO3 — CID 58341551

IUPAC8-morpholin-4-yloctyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCCCN1CCOCC1
InChIInChI=1S/C15H27F2NO3/c1-15(16,17)14(19)21-11-7-5-3-2-4-6-8-18-9-12-20-13-10-18/h2-13H2,1H3
InChIKeyXXRWBKIWPMNTQE-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.86
Rot. Bonds10

About 8-morpholin-4-yloctyl 2,2-difluoropropanoate

8-morpholin-4-yloctyl 2,2-difluoropropanoate (PubChem CID 58341551) has the molecular formula C15H27F2NO3 and a molecular weight of 307.38 g/mol. Its IUPAC name is 8-morpholin-4-yloctyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name8-morpholin-4-yloctyl 2,2-difluoropropanoate
PubChem CID58341551
Molecular FormulaC15H27F2NO3
Molecular Weight307.38 g/mol
Exact Mass307.20
IUPAC Name8-morpholin-4-yloctyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCCCN1CCOCC1
InChIInChI=1S/C15H27F2NO3/c1-15(16,17)14(19)21-11-7-5-3-2-4-6-8-18-9-12-20-13-10-18/h2-13H2,1H3
InChIKeyXXRWBKIWPMNTQE-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.86
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 8-morpholin-4-yloctyl 2,2-difluoropropanoate?
The IUPAC name of 8-morpholin-4-yloctyl 2,2-difluoropropanoate (CID 58341551) is 8-morpholin-4-yloctyl 2,2-difluoropropanoate.
What is the SMILES notation for 8-morpholin-4-yloctyl 2,2-difluoropropanoate?
The canonical SMILES for 8-morpholin-4-yloctyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCCCCCCCCN1CCOCC1.
What is the InChIKey of 8-morpholin-4-yloctyl 2,2-difluoropropanoate?
The InChIKey is XXRWBKIWPMNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO3/c1-15(16,17)14(19)21-11-7-5-3-2-4-6-8-18-9-12-20-13-10-18/h2-13H2,1H3.
What are the key properties of 8-morpholin-4-yloctyl 2,2-difluoropropanoate?
8-morpholin-4-yloctyl 2,2-difluoropropanoate has a molecular weight of 307.38 g/mol, XLogP of 2.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yloctyl 2,2-difluoropropanoate is sourced from PubChem (CID 58341551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).