4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide

C8H13F3N2O3 — CID 140671769

IUPAC4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C[C@H](O)C(F)(F)F)CCO1
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)6(14)4-13-1-2-16-5(3-13)7(12)15/h5-6,14H,1-4H2,(H2,12,15)/t5?,6-/m0/s1
InChIKeyKSCPQZCAJOIKJK-GDVGLLTNSA-N
MW242.20 g/mol
LogP-0.90
Rot. Bonds3

About 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide

4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide (PubChem CID 140671769) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide
PubChem CID140671769
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C[C@H](O)C(F)(F)F)CCO1
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)6(14)4-13-1-2-16-5(3-13)7(12)15/h5-6,14H,1-4H2,(H2,12,15)/t5?,6-/m0/s1
InChIKeyKSCPQZCAJOIKJK-GDVGLLTNSA-N
XLogP-0.90
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043
4-(cyanomethyl)morpholine-2-carboxamide
CID 130674301
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
4-(1,2-dihydroxyethyl)morpholine-2-carboxamide
CID 174387673
(2R)-1,1,1-trifluoro-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 129412710
4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide
CID 49471765
(2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide
CID 95313146
(2S)-1,1,1-trifluoro-3-[2-(2-propan-2-ylpyrimidin-4-yl)morpholin-4-yl]propan-2-ol
CID 118276744
4-(trideuteriomethyl)morpholine-2-carboxamide
CID 175784003
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
CID 63901490
4-[2-oxo-2-(4-phenylanilino)ethyl]morpholine-2-carboxamide
CID 49451499

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide?
The IUPAC name of 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide (CID 140671769) is 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide is NC(=O)C1CN(C[C@H](O)C(F)(F)F)CCO1.
What is the InChIKey of 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide?
The InChIKey is KSCPQZCAJOIKJK-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c9-8(10,11)6(14)4-13-1-2-16-5(3-13)7(12)15/h5-6,14H,1-4H2,(H2,12,15)/t5?,6-/m0/s1.
What are the key properties of 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide?
4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide has a molecular weight of 242.20 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide is sourced from PubChem (CID 140671769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).