4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide

C8H12F3N3O3 — CID 49471765

IUPAC4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide
SMILESNC(=O)C1CN(C(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C8H12F3N3O3/c9-8(10,11)4-13-7(16)14-1-2-17-5(3-14)6(12)15/h5H,1-4H2,(H2,12,15)(H,13,16)
InChIKeyNEZMSDUDGIAIDN-UHFFFAOYSA-N
MW255.20 g/mol
LogP-0.56
Rot. Bonds2

About 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide

4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide (PubChem CID 49471765) has the molecular formula C8H12F3N3O3 and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide
PubChem CID49471765
Molecular FormulaC8H12F3N3O3
Molecular Weight255.20 g/mol
Exact Mass255.08
IUPAC Name4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide
SMILESNC(=O)C1CN(C(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C8H12F3N3O3/c9-8(10,11)4-13-7(16)14-1-2-17-5(3-14)6(12)15/h5H,1-4H2,(H2,12,15)(H,13,16)
InChIKeyNEZMSDUDGIAIDN-UHFFFAOYSA-N
XLogP-0.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 61736280
N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 75501672
N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 86245682
(3-Amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate
CID 140611412
4-(Trifluoromethyl)morpholine-2-carboxamide
CID 150915000
(2,2-Difluoroazetidin-1-yl)-morpholin-2-ylmethanone
CID 173899256
N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;dihydrochloride
CID 175988360
N-methyl-5-oxo-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 176360401
Ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one
CID 178160556
1-Piperazin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 24702376
3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide
CID 43603103
1-[2-(Aminomethyl)morpholin-4-yl]-3,3,3-trifluoropropan-1-one
CID 61337789

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide (CID 49471765) is 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide is NC(=O)C1CN(C(=O)NCC(F)(F)F)CCO1.
What is the InChIKey of 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide?
The InChIKey is NEZMSDUDGIAIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O3/c9-8(10,11)4-13-7(16)14-1-2-17-5(3-14)6(12)15/h5H,1-4H2,(H2,12,15)(H,13,16).
What are the key properties of 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide?
4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide has a molecular weight of 255.20 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide is sourced from PubChem (CID 49471765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).