2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate

C11H13F8NO3 — CID 58855414

IUPAC2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H13F8NO3/c12-7(13)9(14,15)11(18,19)10(16,17)8(21)23-6-3-20-1-4-22-5-2-20/h7H,1-6H2
InChIKeyCZBBKMYCHJBGBM-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.03
Rot. Bonds7

About 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate

2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate (PubChem CID 58855414) has the molecular formula C11H13F8NO3 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate
PubChem CID58855414
Molecular FormulaC11H13F8NO3
Molecular Weight359.21 g/mol
Exact Mass359.08
IUPAC Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H13F8NO3/c12-7(13)9(14,15)11(18,19)10(16,17)8(21)23-6-3-20-1-4-22-5-2-20/h7H,1-6H2
InChIKeyCZBBKMYCHJBGBM-UHFFFAOYSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.03
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

2-(Diethylamino)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91698990
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
CID 58855369
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
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoate
CID 58855387
2-Morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855410
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
CID 58855424
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate
CID 58855439
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
CID 58855442
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate
CID 58855457
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate
CID 58855472

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate (CID 58855414) is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate is O=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate?
The InChIKey is CZBBKMYCHJBGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F8NO3/c12-7(13)9(14,15)11(18,19)10(16,17)8(21)23-6-3-20-1-4-22-5-2-20/h7H,1-6H2.
What are the key properties of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate?
2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate has a molecular weight of 359.21 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate is sourced from PubChem (CID 58855414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).