methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate

C9H12F3NO4 — CID 78925972

IUPACmethyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CC(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO4/c1-16-8(15)6-5-13(2-3-17-6)7(14)4-9(10,11)12/h6H,2-5H2,1H3
InChIKeyFMBVFQUUDJDEMA-UHFFFAOYSA-N
MW255.19 g/mol
LogP0.34
Rot. Bonds2

About methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate

methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate (PubChem CID 78925972) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate
PubChem CID78925972
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Namemethyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CC(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO4/c1-16-8(15)6-5-13(2-3-17-6)7(14)4-9(10,11)12/h6H,2-5H2,1H3
InChIKeyFMBVFQUUDJDEMA-UHFFFAOYSA-N
XLogP0.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-morpholinopropan-1-one
CID 2780521
4-Acetylmorpholine-2-carboxylic acid
CID 20598078
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
Lithium 4-methyl-3-oxomorpholine-2-carboxylate
CID 134690767
4-[(Tert-butoxy)carbonyl]-6-(trifluoromethyl)morpholine-2-carboxylicacid
CID 146082319
Ethyl 4-methyl-3-oxomorpholine-2-carboxylate
CID 15649493
2,3,3,3-Tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-trifluoromethoxyethoxy)-ethoxy]-ethoxy]-propan-1-one
CID 576665
Ethyl 4-(2,2,2-trifluoroacetyl)oxymorpholine-2-carboxylate
CID 68477943
(2R,6S)-4-tert-butoxycarbonyl-6-(trifluoromethyl)morpholine-2-carboxylic acid
CID 118313489
2-[2-[Methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate
CID 140799711
[2-(2-Methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 140890091
1-[4-[2-(2-Ethoxyethoxy)propanoyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 51099292

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate (CID 78925972) is methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)CC(F)(F)F)CCO1.
What is the InChIKey of methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate?
The InChIKey is FMBVFQUUDJDEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c1-16-8(15)6-5-13(2-3-17-6)7(14)4-9(10,11)12/h6H,2-5H2,1H3.
What are the key properties of methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate?
methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate has a molecular weight of 255.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,3,3-trifluoropropanoyl)morpholine-2-carboxylate is sourced from PubChem (CID 78925972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).