5-morpholin-4-ylpentyl 2,2-difluoropropanoate

C12H21F2NO3 — CID 118048087

IUPAC5-morpholin-4-ylpentyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCN1CCOCC1
InChIInChI=1S/C12H21F2NO3/c1-12(13,14)11(16)18-8-4-2-3-5-15-6-9-17-10-7-15/h2-10H2,1H3
InChIKeyDWUNHZUJWPCHBR-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.69
Rot. Bonds7

About 5-morpholin-4-ylpentyl 2,2-difluoropropanoate

5-morpholin-4-ylpentyl 2,2-difluoropropanoate (PubChem CID 118048087) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-morpholin-4-ylpentyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name5-morpholin-4-ylpentyl 2,2-difluoropropanoate
PubChem CID118048087
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Name5-morpholin-4-ylpentyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCN1CCOCC1
InChIInChI=1S/C12H21F2NO3/c1-12(13,14)11(16)18-8-4-2-3-5-15-6-9-17-10-7-15/h2-10H2,1H3
InChIKeyDWUNHZUJWPCHBR-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.69
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 5-morpholin-4-ylpentyl 2,2-difluoropropanoate?
The IUPAC name of 5-morpholin-4-ylpentyl 2,2-difluoropropanoate (CID 118048087) is 5-morpholin-4-ylpentyl 2,2-difluoropropanoate.
What is the SMILES notation for 5-morpholin-4-ylpentyl 2,2-difluoropropanoate?
The canonical SMILES for 5-morpholin-4-ylpentyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCCCCCN1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylpentyl 2,2-difluoropropanoate?
The InChIKey is DWUNHZUJWPCHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c1-12(13,14)11(16)18-8-4-2-3-5-15-6-9-17-10-7-15/h2-10H2,1H3.
What are the key properties of 5-morpholin-4-ylpentyl 2,2-difluoropropanoate?
5-morpholin-4-ylpentyl 2,2-difluoropropanoate has a molecular weight of 265.30 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylpentyl 2,2-difluoropropanoate is sourced from PubChem (CID 118048087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).