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

C6H6F3NO3 — CID 14218578

IUPAC2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide
SMILESO=C1OCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)5(12)10-3-1-2-13-4(3)11/h3H,1-2H2,(H,10,12)
InChIKeyGYQJCHTYZDUOOF-UHFFFAOYSA-N
MW197.11 g/mol
LogP-0.02
Rot. Bonds1

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

2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide (PubChem CID 14218578) has the molecular formula C6H6F3NO3 and a molecular weight of 197.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide
PubChem CID14218578
Molecular FormulaC6H6F3NO3
Molecular Weight197.11 g/mol
Exact Mass197.03
IUPAC Name2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide
SMILESO=C1OCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)5(12)10-3-1-2-13-4(3)11/h3H,1-2H2,(H,10,12)
InChIKeyGYQJCHTYZDUOOF-UHFFFAOYSA-N
XLogP-0.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyryl-L-homoserine lactone
CID 10130163
N-(2-oxooxolan-3-yl)acetamide
CID 325257
Pai-2
CID 443433
(S)-(-)-2-(Trifluoroacetamido)succinic anhydride
CID 12197622
L-Homoserine lactone, N-heptafluorobutyryl-
CID 88903142
L-Homoserine lactone, N-pentafluoropropionyl-
CID 88903143
N-Acetyl-g-hydroxyvaline lactone
CID 10749443
(r)-2-Trifluoroacetylamido succinic anhydride
CID 11790496
(R)-N-(2-Oxotetrahydrofuran-3-yl)butyramide
CID 44602431
3-[(Trifluoroacetyl)amino]succinic anhydride
CID 312805
l-Alanine, N-(heptafluorobutyryl)-, butyl ester
CID 6425702
Acetyl-L-homoserine lactone
CID 10012012

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide (CID 14218578) is 2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide is O=C1OCCC1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide?
The InChIKey is GYQJCHTYZDUOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO3/c7-6(8,9)5(12)10-3-1-2-13-4(3)11/h3H,1-2H2,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide?
2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide has a molecular weight of 197.11 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 14218578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).