2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

C7H11F3N2O2 — CID 175699611

IUPAC2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESNC(=O)N1CCOC(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)3-5-4-12(6(11)13)1-2-14-5/h5H,1-4H2,(H2,11,13)
InChIKeyPSXGOWFNZWBMEJ-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.72
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 175699611) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID175699611
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESNC(=O)N1CCOC(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)3-5-4-12(6(11)13)1-2-14-5/h5H,1-4H2,(H2,11,13)
InChIKeyPSXGOWFNZWBMEJ-UHFFFAOYSA-N
XLogP0.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(trifluoromethyl)morpholine-4-carboxamide
CID 108865858
2-(Trifluoromethyl)morpholine-4-carboxamide
CID 127008665
4-(Difluoromethoxy)piperidine-1-carboxamide
CID 130708067
3-(Trifluoromethyl)morpholine-4-carboxamide
CID 155634360
[2-(Trifluoromethyl)morpholin-4-yl]methanamine
CID 178155810
(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 103931434
N-(2,2,3,3-tetrafluoropropyl)morpholine-4-carboxamide
CID 106291106
2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide
CID 108865827
N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide
CID 112700264
N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide
CID 114383875
2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 115575927
2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 115583927

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 175699611) is 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is NC(=O)N1CCOC(CC(F)(F)F)C1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is PSXGOWFNZWBMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)3-5-4-12(6(11)13)1-2-14-5/h5H,1-4H2,(H2,11,13).
What are the key properties of 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 212.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 175699611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).