3-(trifluoromethyl)morpholine-4-carboxamide

C6H9F3N2O2 — CID 155634360

IUPAC3-(trifluoromethyl)morpholine-4-carboxamide
SMILESNC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)4-3-13-2-1-11(4)5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyNAFHEBRVWKWEQT-UHFFFAOYSA-N
MW198.14 g/mol
LogP0.33
Rot. Bonds

About 3-(trifluoromethyl)morpholine-4-carboxamide

3-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 155634360) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID155634360
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name3-(trifluoromethyl)morpholine-4-carboxamide
SMILESNC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)4-3-13-2-1-11(4)5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyNAFHEBRVWKWEQT-UHFFFAOYSA-N
XLogP0.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 146082137
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide
CID 83102064
3-[2-(dimethylamino)ethyl]morpholine-4-carboxamide
CID 174486365
tert-butyl 3-[(1-aminocyclopropyl)-difluoromethyl]morpholine-4-carboxylate
CID 146014008
4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 167924843
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
3-[3-(trifluoromethyl)morpholin-4-yl]benzoic acid
CID 174551516
4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide
CID 83101865
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of 3-(trifluoromethyl)morpholine-4-carboxamide (CID 155634360) is 3-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)morpholine-4-carboxamide is NC(=O)N1CCOCC1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is NAFHEBRVWKWEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)4-3-13-2-1-11(4)5(10)12/h4H,1-3H2,(H2,10,12).
What are the key properties of 3-(trifluoromethyl)morpholine-4-carboxamide?
3-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 198.14 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 155634360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).