2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide

C8H8F3NO2 — CID 91807080

IUPAC2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide
SMILESCC1=CC(NC(=O)C(F)(F)F)C=CO1
InChIInChI=1S/C8H8F3NO2/c1-5-4-6(2-3-14-5)12-7(13)8(9,10)11/h2-4,6H,1H3,(H,12,13)
InChIKeyOWYDJZDQUKCASG-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.48
Rot. Bonds1

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

2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide (PubChem CID 91807080) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide
PubChem CID91807080
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide
SMILESCC1=CC(NC(=O)C(F)(F)F)C=CO1
InChIInChI=1S/C8H8F3NO2/c1-5-4-6(2-3-14-5)12-7(13)8(9,10)11/h2-4,6H,1H3,(H,12,13)
InChIKeyOWYDJZDQUKCASG-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
CID 10535774
N-(4H-pyran-2-ylmethyl)acetamide
CID 143705645

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide (CID 91807080) is 2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide is CC1=CC(NC(=O)C(F)(F)F)C=CO1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide?
The InChIKey is OWYDJZDQUKCASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-5-4-6(2-3-14-5)12-7(13)8(9,10)11/h2-4,6H,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-4H-pyran-4-yl)acetamide has a molecular weight of 207.15 g/mol, XLogP of 1.48, 1 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-(2-methyl-4H-pyran-4-yl)acetamide is sourced from PubChem (CID 91807080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).