N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H15F3N2O3 — CID 103548442

IUPACN-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1COCCN1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)6-17-5-8(15)14-3-7-4-16-2-1-13-7/h7,13H,1-6H2,(H,14,15)
InChIKeyCEVRMWGUGJEWLJ-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.33
Rot. Bonds5

About N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103548442) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103548442
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC NameN-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1COCCN1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)6-17-5-8(15)14-3-7-4-16-2-1-13-7/h7,13H,1-6H2,(H,14,15)
InChIKeyCEVRMWGUGJEWLJ-UHFFFAOYSA-N
XLogP-0.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Trifluoromethyl)morpholin-3-one
CID 54595323
3-Ethyl-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperazine
CID 56748804
2-(Methoxymethyl)-1-(trifluoroacetyl)piperazine
CID 21295713
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one
CID 25054156
5-(Fluoromethyl)morpholin-3-one
CID 83854137
5-(Difluoromethyl)morpholin-3-one
CID 84716430
(5R)-5-(trifluoromethyl)morpholin-3-one
CID 95396540
2,2,2-trifluoro-N-(morpholin-3-ylmethyl)acetamide
CID 103548592
(5S)-5-(difluoromethyl)morpholin-3-one
CID 105429492
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate
CID 123720044
N-[difluoro-(2-fluoromorpholin-3-yl)methyl]acetamide
CID 140475973

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103548442) is N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC1COCCN1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is CEVRMWGUGJEWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)6-17-5-8(15)14-3-7-4-16-2-1-13-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 256.22 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103548442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).