2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate

C9H14F3NO3 — CID 59855626

IUPAC2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7-16-8(14)1-2-13-3-5-15-6-4-13/h1-7H2
InChIKeyKAODKTPFVJIREG-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.81
Rot. Bonds4

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

2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate (PubChem CID 59855626) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate
PubChem CID59855626
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7-16-8(14)1-2-13-3-5-15-6-4-13/h1-7H2
InChIKeyKAODKTPFVJIREG-UHFFFAOYSA-N
XLogP0.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-morpholinepropionate
CID 88374
4-Morpholinepropanoic acid, methyl ester
CID 101373
Methyl 3-morpholin-4-ylpropanoate;hydrochloride
CID 12425580
N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588
2-Piperidin-1-ylethyl 2,2,2-trifluoroacetate
CID 17857660
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
2,2-Difluoropropyl 2-morpholin-4-ylacetate
CID 58341548
4-Morpholin-4-ylbutyl 2,2-difluoropropanoate
CID 58341555
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate?
The IUPAC name of 2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate (CID 59855626) is 2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate?
The canonical SMILES for 2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate?
The InChIKey is KAODKTPFVJIREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)7-16-8(14)1-2-13-3-5-15-6-4-13/h1-7H2.
What are the key properties of 2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate?
2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate has a molecular weight of 241.21 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 59855626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).