2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride

C7H12ClF3N2O2 — CID 14839574

IUPAC2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2.ClH/c8-7(9,10)6(13)12-4-5-3-11-1-2-14-5;/h5,11H,1-4H2,(H,12,13);1H
InChIKeySBEXNYPMZYEWLA-UHFFFAOYSA-N
MW248.63 g/mol
LogP0.08
Rot. Bonds2

About 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride

2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 14839574) has the molecular formula C7H12ClF3N2O2 and a molecular weight of 248.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
PubChem CID14839574
Molecular FormulaC7H12ClF3N2O2
Molecular Weight248.63 g/mol
Exact Mass248.05
IUPAC Name2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2.ClH/c8-7(9,10)6(13)12-4-5-3-11-1-2-14-5;/h5,11H,1-4H2,(H,12,13);1H
InChIKeySBEXNYPMZYEWLA-UHFFFAOYSA-N
XLogP0.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(morpholin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206342
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
1-ethyl-1-methyl-3-(morpholin-2-ylmethyl)urea
CID 79160698
4-methyl-N-(morpholin-2-ylmethyl)pentanamide
CID 43603056
2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide
CID 14839584
1-cyclohexyl-3-(morpholin-2-ylmethyl)urea
CID 43604010
(2S,3S)-N-(1,4-oxazepan-2-ylmethyl)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carboxamide
CID 128882661
1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 61315356
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
N-(morpholin-2-ylmethyl)pyrimidine-5-carboxamide
CID 102922356
(2R)-N-(morpholin-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 103840837
N-(morpholin-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106219128

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride (CID 14839574) is 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(NCC1CNCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is SBEXNYPMZYEWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2.ClH/c8-7(9,10)6(13)12-4-5-3-11-1-2-14-5;/h5,11H,1-4H2,(H,12,13);1H.
What are the key properties of 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride?
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 248.63 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 14839574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).