2,2,2-trifluoro-N-(oxolan-3-yl)acetamide

C6H8F3NO2 — CID 80715111

IUPAC2,2,2-trifluoro-N-(oxolan-3-yl)acetamide
SMILESO=C(NC1CCOC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(11)10-4-1-2-12-3-4/h4H,1-3H2,(H,10,11)
InChIKeyYQHJMKBFPUUZKO-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.45
Rot. Bonds1

About 2,2,2-trifluoro-N-(oxolan-3-yl)acetamide

2,2,2-trifluoro-N-(oxolan-3-yl)acetamide (PubChem CID 80715111) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(oxolan-3-yl)acetamide
PubChem CID80715111
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2,2,2-trifluoro-N-(oxolan-3-yl)acetamide
SMILESO=C(NC1CCOC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(11)10-4-1-2-12-3-4/h4H,1-3H2,(H,10,11)
InChIKeyYQHJMKBFPUUZKO-UHFFFAOYSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 14511495
2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 14511496
N-(1-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 57737704
N-(2,2,2-trifluoroethyl)oxolan-3-amine
CID 63331552
3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide
CID 71064663
N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide
CID 121357635
N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide
CID 121359379
N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide
CID 168832917
3-fluoro-N-(oxolan-3-yl)propanamide
CID 169571711
N-[(3S)-oxolan-3-yl]acetamide
CID 58336142
2,2,2-Trifluoro-N-(2-methoxy-1-methylethyl)acetamide
CID 14511494
2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide
CID 15274856

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(oxolan-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(oxolan-3-yl)acetamide (CID 80715111) is 2,2,2-trifluoro-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(oxolan-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(oxolan-3-yl)acetamide is O=C(NC1CCOC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(oxolan-3-yl)acetamide?
The InChIKey is YQHJMKBFPUUZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(11)10-4-1-2-12-3-4/h4H,1-3H2,(H,10,11).
What are the key properties of 2,2,2-trifluoro-N-(oxolan-3-yl)acetamide?
2,2,2-trifluoro-N-(oxolan-3-yl)acetamide has a molecular weight of 183.13 g/mol, XLogP of 0.45, 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-(oxolan-3-yl)acetamide is sourced from PubChem (CID 80715111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).