2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide

C8H12F3NO2 — CID 115759638

IUPAC2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide
SMILESCC1(NC(=O)C(F)(F)F)CCOCC1
InChIInChI=1S/C8H12F3NO2/c1-7(2-4-14-5-3-7)12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyDUOYCZDLXCJWQP-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide

2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide (PubChem CID 115759638) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide
PubChem CID115759638
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide
SMILESCC1(NC(=O)C(F)(F)F)CCOCC1
InChIInChI=1S/C8H12F3NO2/c1-7(2-4-14-5-3-7)12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyDUOYCZDLXCJWQP-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.23
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-(4-methyloxan-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide (CID 115759638) is 2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide is CC1(NC(=O)C(F)(F)F)CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide?
The InChIKey is DUOYCZDLXCJWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-7(2-4-14-5-3-7)12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide?
2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.23, 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-(4-methyloxan-4-yl)acetamide is sourced from PubChem (CID 115759638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).