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

C8H13F3N2O2 — CID 75501672

IUPACN-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
SMILESCNC(=O)C1CN(CC(F)(F)F)CCO1
InChIInChI=1S/C8H13F3N2O2/c1-12-7(14)6-4-13(2-3-15-6)5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyCVNDPMVWHJLSPZ-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.00
Rot. Bonds2

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

N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide (PubChem CID 75501672) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
PubChem CID75501672
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
SMILESCNC(=O)C1CN(CC(F)(F)F)CCO1
InChIInChI=1S/C8H13F3N2O2/c1-12-7(14)6-4-13(2-3-15-6)5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyCVNDPMVWHJLSPZ-UHFFFAOYSA-N
XLogP-0.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine-2-carboxamide
CID 15955786
N-Methylmorpholine-2-carboxamide
CID 20377550
(2R)-morpholine-2-carboxamide
CID 51600069
N,N-dimethylmorpholine-2-carboxamide hydrochloride
CID 71298970
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031323
N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031333
2-Methyl-6-(trifluoromethyl)morpholin-3-one
CID 73994585
(2S)-N-methylmorpholine-2-carboxamide
CID 86311494
4-ethyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 72121023
N,N-dimethylmorpholine-2-carboxamide
CID 20472122
N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 61736280
4-Methylmorpholine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 71146877

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide?
The IUPAC name of N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide (CID 75501672) is N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide?
The canonical SMILES for N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide is CNC(=O)C1CN(CC(F)(F)F)CCO1.
What is the InChIKey of N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide?
The InChIKey is CVNDPMVWHJLSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-12-7(14)6-4-13(2-3-15-6)5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide?
N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide has a molecular weight of 226.20 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide is sourced from PubChem (CID 75501672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).