1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate

C12H17F6NO3 — CID 58855371

IUPAC1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
SMILESCC(CN1CCOCC1)OC(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO3/c1-8(7-19-3-5-21-6-4-19)22-9(20)10(2,11(13,14)15)12(16,17)18/h8H,3-7H2,1-2H3
InChIKeyZOAGAPUOGOYFCI-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.38
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate

1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate (PubChem CID 58855371) has the molecular formula C12H17F6NO3 and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
PubChem CID58855371
Molecular FormulaC12H17F6NO3
Molecular Weight337.26 g/mol
Exact Mass337.11
IUPAC Name1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
SMILESCC(CN1CCOCC1)OC(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO3/c1-8(7-19-3-5-21-6-4-19)22-9(20)10(2,11(13,14)15)12(16,17)18/h8H,3-7H2,1-2H3
InChIKeyZOAGAPUOGOYFCI-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855384
[1-Morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] 2,2-dimethylpropanoate
CID 58855386
1-Morpholin-4-ylpropan-2-yl 2,2-difluoroacetate
CID 58855390
1-Morpholin-4-ylpropan-2-yl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855394
2-Morpholinoethyl 2,2-bis(trifluoromethyl)propionate
CID 58855417
[1-Morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate
CID 58855433
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
CID 58855442
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate
CID 58855443
1-Morpholin-4-ylpropan-2-yl 2,2,3,3-tetrafluoropropanoate
CID 58855475
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 58855477

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate (CID 58855371) is 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is CC(CN1CCOCC1)OC(=O)C(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The InChIKey is ZOAGAPUOGOYFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6NO3/c1-8(7-19-3-5-21-6-4-19)22-9(20)10(2,11(13,14)15)12(16,17)18/h8H,3-7H2,1-2H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate has a molecular weight of 337.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 58855371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).