2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide

C8H12F3NO3 — CID 104630606

IUPAC2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESO=C(NC1(CO)CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6(14)12-7(5-13)1-3-15-4-2-7/h13H,1-5H2,(H,12,14)
InChIKeyHBTRFMFXAOCFEA-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.21
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide

2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (PubChem CID 104630606) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
PubChem CID104630606
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESO=C(NC1(CO)CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6(14)12-7(5-13)1-3-15-4-2-7/h13H,1-5H2,(H,12,14)
InChIKeyHBTRFMFXAOCFEA-UHFFFAOYSA-N
XLogP0.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (CID 104630606) is 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is O=C(NC1(CO)CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The InChIKey is HBTRFMFXAOCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)6(14)12-7(5-13)1-3-15-4-2-7/h13H,1-5H2,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide has a molecular weight of 227.18 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is sourced from PubChem (CID 104630606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).