N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide

C11H18F3N3O2 — CID 60604758

IUPACN-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)8-16-2-1-9(7-16)15-10(18)17-3-5-19-6-4-17/h9H,1-8H2,(H,15,18)
InChIKeyYNUPSNCCWWQXOX-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.66
Rot. Bonds2

About N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide

N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide (PubChem CID 60604758) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide
PubChem CID60604758
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)8-16-2-1-9(7-16)15-10(18)17-3-5-19-6-4-17/h9H,1-8H2,(H,15,18)
InChIKeyYNUPSNCCWWQXOX-UHFFFAOYSA-N
XLogP0.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide (CID 60604758) is N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide is O=C(NC1CCN(CC(F)(F)F)C1)N1CCOCC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide?
The InChIKey is YNUPSNCCWWQXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c12-11(13,14)8-16-2-1-9(7-16)15-10(18)17-3-5-19-6-4-17/h9H,1-8H2,(H,15,18).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide?
N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 60604758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).