2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide

C8H12F3NO2 — CID 64591128

IUPAC2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C8H12F3NO2/c1-12(7(13)8(9,10)11)6-2-4-14-5-3-6/h6H,2-5H2,1H3
InChIKeyDXUZVZJYUPSEOR-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.19
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 64591128) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID64591128
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C8H12F3NO2/c1-12(7(13)8(9,10)11)6-2-4-14-5-3-6/h6H,2-5H2,1H3
InChIKeyDXUZVZJYUPSEOR-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide (CID 64591128) is 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide is CN(C(=O)C(F)(F)F)C1CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is DXUZVZJYUPSEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-12(7(13)8(9,10)11)6-2-4-14-5-3-6/h6H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 64591128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).