12-morpholin-4-yldodecyl 2,2-difluoropropanoate

C19H35F2NO3 — CID 58341584

IUPAC12-morpholin-4-yldodecyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C19H35F2NO3/c1-19(20,21)18(23)25-15-11-9-7-5-3-2-4-6-8-10-12-22-13-16-24-17-14-22/h2-17H2,1H3
InChIKeyIZGPYZKAYKJZTE-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.42
Rot. Bonds14

About 12-morpholin-4-yldodecyl 2,2-difluoropropanoate

12-morpholin-4-yldodecyl 2,2-difluoropropanoate (PubChem CID 58341584) has the molecular formula C19H35F2NO3 and a molecular weight of 363.49 g/mol. Its IUPAC name is 12-morpholin-4-yldodecyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name12-morpholin-4-yldodecyl 2,2-difluoropropanoate
PubChem CID58341584
Molecular FormulaC19H35F2NO3
Molecular Weight363.49 g/mol
Exact Mass363.26
IUPAC Name12-morpholin-4-yldodecyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C19H35F2NO3/c1-19(20,21)18(23)25-15-11-9-7-5-3-2-4-6-8-10-12-22-13-16-24-17-14-22/h2-17H2,1H3
InChIKeyIZGPYZKAYKJZTE-UHFFFAOYSA-N
XLogP4.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.42
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 12-morpholin-4-yldodecyl 2,2-difluoropropanoate?
The IUPAC name of 12-morpholin-4-yldodecyl 2,2-difluoropropanoate (CID 58341584) is 12-morpholin-4-yldodecyl 2,2-difluoropropanoate.
What is the SMILES notation for 12-morpholin-4-yldodecyl 2,2-difluoropropanoate?
The canonical SMILES for 12-morpholin-4-yldodecyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCCCCCCCCCCCCN1CCOCC1.
What is the InChIKey of 12-morpholin-4-yldodecyl 2,2-difluoropropanoate?
The InChIKey is IZGPYZKAYKJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F2NO3/c1-19(20,21)18(23)25-15-11-9-7-5-3-2-4-6-8-10-12-22-13-16-24-17-14-22/h2-17H2,1H3.
What are the key properties of 12-morpholin-4-yldodecyl 2,2-difluoropropanoate?
12-morpholin-4-yldodecyl 2,2-difluoropropanoate has a molecular weight of 363.49 g/mol, XLogP of 4.42, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-morpholin-4-yldodecyl 2,2-difluoropropanoate is sourced from PubChem (CID 58341584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).