(1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate

C12H20F3NO3 — CID 59013009

IUPAC(1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate
SMILESCC(C)C(OC(=O)CCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-9(2)11(12(13,14)15)19-10(17)3-4-16-5-7-18-8-6-16/h9,11H,3-8H2,1-2H3
InChIKeyRRYGWYFCJKSORA-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.84
Rot. Bonds5

About (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate

(1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate (PubChem CID 59013009) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name(1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate
PubChem CID59013009
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name(1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate
SMILESCC(C)C(OC(=O)CCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-9(2)11(12(13,14)15)19-10(17)3-4-16-5-7-18-8-6-16/h9,11H,3-8H2,1-2H3
InChIKeyRRYGWYFCJKSORA-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate with MolForge

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Related Compounds

4-Morpholinepropanoic acid, alpha-methyl-, methyl ester
CID 89273
Ethyl 2,6-dimethyl-4-morpholinepropionate
CID 98759
N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
Methyl 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanoate
CID 294572
Ethyl 2-Methyl-3-morpholinopropanoate
CID 4713790
1-Morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 58855371
[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 2,2-difluoroacetate
CID 58855390
1-Morpholin-4-ylpropan-2-yl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855394
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
1,1,1,2,3,3,3-Heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate
CID 58855506

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate?
The IUPAC name of (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate (CID 59013009) is (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate.
What is the SMILES notation for (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate?
The canonical SMILES for (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate is CC(C)C(OC(=O)CCN1CCOCC1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate?
The InChIKey is RRYGWYFCJKSORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-9(2)11(12(13,14)15)19-10(17)3-4-16-5-7-18-8-6-16/h9,11H,3-8H2,1-2H3.
What are the key properties of (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate?
(1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate has a molecular weight of 283.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 59013009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).