morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone

C12H19F3N2O3 — CID 86792766

IUPACmorpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1CC(O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)10(18)8-17-3-1-2-9(17)11(19)16-4-6-20-7-5-16/h9-10,18H,1-8H2
InChIKeyWEJWTJNJOPJVIF-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.23
Rot. Bonds3

About morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone

morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone (PubChem CID 86792766) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone
PubChem CID86792766
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Namemorpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1CC(O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)10(18)8-17-3-1-2-9(17)11(19)16-4-6-20-7-5-16/h9-10,18H,1-8H2
InChIKeyWEJWTJNJOPJVIF-UHFFFAOYSA-N
XLogP0.23
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone (CID 86792766) is morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone is O=C(C1CCCN1CC(O)C(F)(F)F)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone?
The InChIKey is WEJWTJNJOPJVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,15)10(18)8-17-3-1-2-9(17)11(19)16-4-6-20-7-5-16/h9-10,18H,1-8H2.
What are the key properties of morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone?
morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone has a molecular weight of 296.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 86792766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).