2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate

C9H13F4NO3 — CID 58855491

IUPAC2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO3/c10-7(11)9(12,13)8(15)17-6-3-14-1-4-16-5-2-14/h7H,1-6H2
InChIKeyMDIOCDTVVXCWEU-UHFFFAOYSA-N
MW259.20 g/mol
LogP0.76
Rot. Bonds5

About 2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate

2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate (PubChem CID 58855491) has the molecular formula C9H13F4NO3 and a molecular weight of 259.20 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate
PubChem CID58855491
Molecular FormulaC9H13F4NO3
Molecular Weight259.20 g/mol
Exact Mass259.08
IUPAC Name2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO3/c10-7(11)9(12,13)8(15)17-6-3-14-1-4-16-5-2-14/h7H,1-6H2
InChIKeyMDIOCDTVVXCWEU-UHFFFAOYSA-N
XLogP0.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 50.76
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-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
(Ethylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91738534
Amine, N,N,N-tris(2-trifluoroacetoxyethyl)-
CID 587991
2-(Diethylamino)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91698990
Ethyldiethanolamine bis(heptafluorobutyrate)
CID 91741522
4-Methylmorpholine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 17843040
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588
2-Piperidin-1-ylethyl 2,2,2-trifluoroacetate
CID 17857660
2-[Difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 51063041
3-Morpholin-4-ylpropanoate;2,2,2-trifluoroacetaldehyde
CID 54081626
2-(Dimethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824069

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate (CID 58855491) is 2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate is O=C(OCCN1CCOCC1)C(F)(F)C(F)F.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate?
The InChIKey is MDIOCDTVVXCWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO3/c10-7(11)9(12,13)8(15)17-6-3-14-1-4-16-5-2-14/h7H,1-6H2.
What are the key properties of 2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate?
2-morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate has a molecular weight of 259.20 g/mol, XLogP of 0.76, 5 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-tetrafluoropropanoate is sourced from PubChem (CID 58855491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).