2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate

C11H15F6NO3 — CID 58855410

IUPAC2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
SMILESO=C(CC(C(F)(F)F)C(F)(F)F)OCCN1CCOCC1
InChIInChI=1S/C11H15F6NO3/c12-10(13,14)8(11(15,16)17)7-9(19)21-6-3-18-1-4-20-5-2-18/h8H,1-7H2
InChIKeyQLCHXMVHCUMNST-UHFFFAOYSA-N
MW323.23 g/mol
LogP1.99
Rot. Bonds5

About 2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate

2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate (PubChem CID 58855410) has the molecular formula C11H15F6NO3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
PubChem CID58855410
Molecular FormulaC11H15F6NO3
Molecular Weight323.23 g/mol
Exact Mass323.10
IUPAC Name2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
SMILESO=C(CC(C(F)(F)F)C(F)(F)F)OCCN1CCOCC1
InChIInChI=1S/C11H15F6NO3/c12-10(13,14)8(11(15,16)17)7-9(19)21-6-3-18-1-4-20-5-2-18/h8H,1-7H2
InChIKeyQLCHXMVHCUMNST-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

a-Morpholinomethylhexafluoroisobutyric acid
CID 129805206
2-(Diethylamino)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91698990
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558
[1-Morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855381
1-Morpholin-4-ylpropan-2-yl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855394
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855414
2-Morpholinoethyl 2,2-bis(trifluoromethyl)propionate
CID 58855417
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 58855477
2-Morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate
CID 58855491
2,2,3,3,4,4,4-Heptafluorobutyl 3-morpholin-4-ylpropanoate
CID 59012970
2,2,3,3,4,4,4-Heptafluorobutyl 2-morpholin-4-ylacetate
CID 59013004
2-Piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 59203967

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
The IUPAC name of 2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate (CID 58855410) is 2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate is O=C(CC(C(F)(F)F)C(F)(F)F)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
The InChIKey is QLCHXMVHCUMNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO3/c12-10(13,14)8(11(15,16)17)7-9(19)21-6-3-18-1-4-20-5-2-18/h8H,1-7H2.
What are the key properties of 2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
2-morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate has a molecular weight of 323.23 g/mol, XLogP of 1.99, 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 4,4,4-trifluoro-3-(trifluoromethyl)butanoate is sourced from PubChem (CID 58855410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).