1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

C12H14F9NO3 — CID 58855442

IUPAC1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F9NO3/c1-7(6-22-2-4-24-5-3-22)25-8(23)9(13,14)10(15,16)11(17,18)12(19,20)21/h7H,2-6H2,1H3
InChIKeyYCJPTZSTCLVQLG-UHFFFAOYSA-N
MW391.23 g/mol
LogP2.72
Rot. Bonds6

About 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (PubChem CID 58855442) has the molecular formula C12H14F9NO3 and a molecular weight of 391.23 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
PubChem CID58855442
Molecular FormulaC12H14F9NO3
Molecular Weight391.23 g/mol
Exact Mass391.08
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F9NO3/c1-7(6-22-2-4-24-5-3-22)25-8(23)9(13,14)10(15,16)11(17,18)12(19,20)21/h7H,2-6H2,1H3
InChIKeyYCJPTZSTCLVQLG-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
CID 58855369
1-Morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 58855371
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855384
1-Morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate
CID 58855385
1-Morpholin-4-ylpropan-2-yl 2,2-difluoroacetate
CID 58855390
1-Morpholin-4-ylpropan-2-yl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855394
2-Morpholino-1-{(2,2,3,3,4,4,5,5-octafluoropentyloxy)-methyl}ethyl acetate
CID 58855397
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855414
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
CID 58855431
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) 4,4,5,5,6,6,6-heptafluorohexanoate
CID 58855438
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate
CID 58855443

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (CID 58855442) is 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is CC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The InChIKey is YCJPTZSTCLVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F9NO3/c1-7(6-22-2-4-24-5-3-22)25-8(23)9(13,14)10(15,16)11(17,18)12(19,20)21/h7H,2-6H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate has a molecular weight of 391.23 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is sourced from PubChem (CID 58855442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).