2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate

C12H19F3N2O3 — CID 54593150

IUPAC2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC1CN1CCOCC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)9-20-11(18)17-3-1-2-10(17)8-16-4-6-19-7-5-16/h10H,1-9H2
InChIKeyIGPXMAMQNIOXMC-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.48
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate

2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 54593150) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID54593150
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC1CN1CCOCC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)9-20-11(18)17-3-1-2-10(17)8-16-4-6-19-7-5-16/h10H,1-9H2
InChIKeyIGPXMAMQNIOXMC-UHFFFAOYSA-N
XLogP1.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate (CID 54593150) is 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate is O=C(OCC(F)(F)F)N1CCCC1CN1CCOCC1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is IGPXMAMQNIOXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,15)9-20-11(18)17-3-1-2-10(17)8-16-4-6-19-7-5-16/h10H,1-9H2.
What are the key properties of 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate?
2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 296.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 54593150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).