morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

C9H11F6NO5 — CID 86211438

IUPACmorpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(OCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3.C2HF3O2/c8-7(9,10)6(12)14-4-5-3-11-1-2-13-5;3-2(4,5)1(6)7/h5,11H,1-4H2;(H,6,7)
InChIKeySVIBTDFEQRRZHA-UHFFFAOYSA-N
MW327.18 g/mol
LogP0.71
Rot. Bonds2

About morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (PubChem CID 86211438) has the molecular formula C9H11F6NO5 and a molecular weight of 327.18 g/mol. Its IUPAC name is morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
PubChem CID86211438
Molecular FormulaC9H11F6NO5
Molecular Weight327.18 g/mol
Exact Mass327.05
IUPAC Namemorpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(OCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3.C2HF3O2/c8-7(9,10)6(12)14-4-5-3-11-1-2-13-5;3-2(4,5)1(6)7/h5,11H,1-4H2;(H,6,7)
InChIKeySVIBTDFEQRRZHA-UHFFFAOYSA-N
XLogP0.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,4S)-4-acetyloxypyrrolidin-3-yl] acetate;2,2,2-trifluoroacetic acid
CID 71680568
[(3R,4R)-4-acetyloxypyrrolidin-3-yl] acetate;2,2,2-trifluoroacetic acid
CID 145948350
2-(2-Fluoropropan-2-yl)morpholine, trifluoroacetic acid
CID 177801718
Morpholin-2-ylmethyl trifluoroacetate
CID 11206644
Ethyl morpholine-2-carboxylate 2,2,2-trifluoroacetate
CID 56777006
2-Morpholinemethanol 2,2,2-trifluoroacetate salt
CID 66662889
(R)-Morpholin-2-ylmethanol 2,2,2-trifluoroacetate salt
CID 66662997
[(2R)-morpholin-2-yl]methyl 2,2,2-trifluoroacetate
CID 66662998
2-Methylmorpholine trifluoroacetate
CID 68841730
N,N-dimethyl-2-(piperidin-4-yloxy)ethanamine bis(trifluoroacetate)
CID 86637049
2-[[2-Hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid
CID 130266599
Morpholine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 132087057

Frequently Asked Questions

What is the IUPAC name of morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (CID 86211438) is morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(OCC1CNCCO1)C(F)(F)F.
What is the InChIKey of morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The InChIKey is SVIBTDFEQRRZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3.C2HF3O2/c8-7(9,10)6(12)14-4-5-3-11-1-2-13-5;3-2(4,5)1(6)7/h5,11H,1-4H2;(H,6,7).
What are the key properties of morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid has a molecular weight of 327.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86211438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).