6-morpholin-4-ylhexyl 2,2-difluoropropanoate

C13H23F2NO3 — CID 58341585

IUPAC6-morpholin-4-ylhexyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCN1CCOCC1
InChIInChI=1S/C13H23F2NO3/c1-13(14,15)12(17)19-9-5-3-2-4-6-16-7-10-18-11-8-16/h2-11H2,1H3
InChIKeyHWELSQMLIITWJX-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.08
Rot. Bonds8

About 6-morpholin-4-ylhexyl 2,2-difluoropropanoate

6-morpholin-4-ylhexyl 2,2-difluoropropanoate (PubChem CID 58341585) has the molecular formula C13H23F2NO3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 6-morpholin-4-ylhexyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name6-morpholin-4-ylhexyl 2,2-difluoropropanoate
PubChem CID58341585
Molecular FormulaC13H23F2NO3
Molecular Weight279.33 g/mol
Exact Mass279.16
IUPAC Name6-morpholin-4-ylhexyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCN1CCOCC1
InChIInChI=1S/C13H23F2NO3/c1-13(14,15)12(17)19-9-5-3-2-4-6-16-7-10-18-11-8-16/h2-11H2,1H3
InChIKeyHWELSQMLIITWJX-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.08
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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Related Compounds

2-Piperidin-1-ylethyl 2,2,2-trifluoroacetate
CID 17857660
8-Morpholin-4-yloctyl 2,2-difluoropropanoate
CID 58341551
4-Morpholin-4-ylbutyl 2,2-difluoropropanoate
CID 58341555
(2-Piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate
CID 58341557
8-Piperidin-1-yloctyl 2,2-difluoropropanoate
CID 58341561
4-[6-(2,2-Difluoropropoxy)hexyl]morpholine
CID 58341567
(2-Morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate
CID 58341568
2,2-Difluoropropyl 2-piperidin-1-ylacetate
CID 58341578
12-Piperidin-1-yldodecyl 2,2-difluoropropanoate
CID 58341581
12-Morpholin-4-yldodecyl 2,2-difluoropropanoate
CID 58341584
1-Morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate
CID 58855385
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) 2,2-dimethylpropanoate
CID 58855393

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylhexyl 2,2-difluoropropanoate?
The IUPAC name of 6-morpholin-4-ylhexyl 2,2-difluoropropanoate (CID 58341585) is 6-morpholin-4-ylhexyl 2,2-difluoropropanoate.
What is the SMILES notation for 6-morpholin-4-ylhexyl 2,2-difluoropropanoate?
The canonical SMILES for 6-morpholin-4-ylhexyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCCCCCCN1CCOCC1.
What is the InChIKey of 6-morpholin-4-ylhexyl 2,2-difluoropropanoate?
The InChIKey is HWELSQMLIITWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO3/c1-13(14,15)12(17)19-9-5-3-2-4-6-16-7-10-18-11-8-16/h2-11H2,1H3.
What are the key properties of 6-morpholin-4-ylhexyl 2,2-difluoropropanoate?
6-morpholin-4-ylhexyl 2,2-difluoropropanoate has a molecular weight of 279.33 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylhexyl 2,2-difluoropropanoate is sourced from PubChem (CID 58341585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).