2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate

C10H14F5NO3 — CID 59855624

IUPAC2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO3/c11-9(12,10(13,14)15)7-19-8(17)1-2-16-3-5-18-6-4-16/h1-7H2
InChIKeyZBBZZGJOJLXCKL-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.45
Rot. Bonds5

About 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate

2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate (PubChem CID 59855624) has the molecular formula C10H14F5NO3 and a molecular weight of 291.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate
PubChem CID59855624
Molecular FormulaC10H14F5NO3
Molecular Weight291.22 g/mol
Exact Mass291.09
IUPAC Name2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO3/c11-9(12,10(13,14)15)7-19-8(17)1-2-16-3-5-18-6-4-16/h1-7H2
InChIKeyZBBZZGJOJLXCKL-UHFFFAOYSA-N
XLogP1.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.45
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

Ethyl 4-morpholinepropionate
CID 88374
4-Morpholinepropanoic acid, methyl ester
CID 101373
N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
4-Iodobutyl 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
CID 11114397
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
3-(2,2,3,3,5,5,6,6-Octafluoromorpholin-4-yl)propanoic acid
CID 19000299
2-[Difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 51063041
3-Morpholin-4-ylpropanoate;2,2,2-trifluoroacetaldehyde
CID 54081626
Morpholin-4-ylmethyl 2,2-difluoropropanoate
CID 58341547

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate (CID 59855624) is 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate?
The InChIKey is ZBBZZGJOJLXCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO3/c11-9(12,10(13,14)15)7-19-8(17)1-2-16-3-5-18-6-4-16/h1-7H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate?
2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate has a molecular weight of 291.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 59855624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).