2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide

C8H15F3N2O — CID 58007164

IUPAC2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(2)12-4-5-13(3)7(14)8(9,10)11/h6,12H,4-5H2,1-3H3
InChIKeyXPMABHHBGOSVRN-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.01
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 58007164) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide
PubChem CID58007164
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(2)12-4-5-13(3)7(14)8(9,10)11/h6,12H,4-5H2,1-3H3
InChIKeyXPMABHHBGOSVRN-UHFFFAOYSA-N
XLogP1.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide (CID 58007164) is 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide is CC(C)NCCN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is XPMABHHBGOSVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-6(2)12-4-5-13(3)7(14)8(9,10)11/h6,12H,4-5H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 212.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 58007164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).