2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2 — CID 104586152

IUPAC2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(CNCC(=O)NCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-10(2-4-18-5-3-10)7-15-6-9(17)16-8-11(12,13)14/h15H,2-8H2,1H3,(H,16,17)
InChIKeyNURGRAQXTCYBST-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds5

About 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 104586152) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID104586152
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(CNCC(=O)NCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-10(2-4-18-5-3-10)7-15-6-9(17)16-8-11(12,13)14/h15H,2-8H2,1H3,(H,16,17)
InChIKeyNURGRAQXTCYBST-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
CID 146476352
ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164555847
ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164556022
2-(oxan-4-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 63711853
1-[4-(Methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958203
N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958422
N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261536
2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 79812234
2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103742229
2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103742631
N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103742643
2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103768071

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 104586152) is 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC1(CNCC(=O)NCC(F)(F)F)CCOCC1.
What is the InChIKey of 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NURGRAQXTCYBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2-4-18-5-3-10)7-15-6-9(17)16-8-11(12,13)14/h15H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 104586152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).