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

C7H11F3N2O2 — CID 660111

IUPACN-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-11-6(13)12-1-3-14-4-2-12/h1-5H2,(H,11,13)
InChIKeyRYPDLOPSUKICBE-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.59
Rot. Bonds1

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

N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 660111) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID660111
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC NameN-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-11-6(13)12-1-3-14-4-2-12/h1-5H2,(H,11,13)
InChIKeyRYPDLOPSUKICBE-UHFFFAOYSA-N
XLogP0.59
TPSA41.57 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Morpholinylmethyl)urea
CID 95700
Morpholine-4-carboxamide
CID 75088
N-ethylmorpholine-4-carboxamide
CID 824155
N-(2-Aminoethyl)-4-morpholinecarboxamide
CID 11041198
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide
CID 5154894
N-(trifluoromethyl)morpholine-4-carboxamide
CID 108865858
2-(Trifluoromethyl)morpholine-4-carboxamide
CID 127008665
3-(Trifluoromethyl)morpholine-4-carboxamide
CID 155634360
(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135163
(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135216
N-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 45505458
2-(2,2,2-Trifluoroethoxy)ethylurea
CID 60728557

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 660111) is N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is O=C(NCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is RYPDLOPSUKICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)5-11-6(13)12-1-3-14-4-2-12/h1-5H2,(H,11,13).
What are the key properties of N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 212.17 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 660111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).