2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate

C11H15F6NO3 — CID 58855417

IUPAC2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
SMILESCC(C(=O)OCCN1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO3/c1-9(10(12,13)14,11(15,16)17)8(19)21-7-4-18-2-5-20-6-3-18/h2-7H2,1H3
InChIKeyHBAFIHSJZSQMHM-UHFFFAOYSA-N
MW323.23 g/mol
LogP1.99
Rot. Bonds4

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

2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate (PubChem CID 58855417) has the molecular formula C11H15F6NO3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
PubChem CID58855417
Molecular FormulaC11H15F6NO3
Molecular Weight323.23 g/mol
Exact Mass323.10
IUPAC Name2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
SMILESCC(C(=O)OCCN1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO3/c1-9(10(12,13)14,11(15,16)17)8(19)21-7-4-18-2-5-20-6-3-18/h2-7H2,1H3
InChIKeyHBAFIHSJZSQMHM-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

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
2-(Diethylamino)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91698990
4-Methylmorpholine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 17843040
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588
Morpholin-4-ylmethyl 2,2-difluoropropanoate
CID 58341547
2,2-Difluoropropyl 2-morpholin-4-ylacetate
CID 58341548
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558
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-difluoroacetate
CID 58855390
2-Morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855410

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The IUPAC name of 2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate (CID 58855417) is 2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is CC(C(=O)OCCN1CCOCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The InChIKey is HBAFIHSJZSQMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO3/c1-9(10(12,13)14,11(15,16)17)8(19)21-7-4-18-2-5-20-6-3-18/h2-7H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate has a molecular weight of 323.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 58855417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).