2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide

C7H8F3NO3 — CID 10262559

IUPAC2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide
SMILESC[C@H]1C(=O)OC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c1-3-4(2-14-5(3)12)11-6(13)7(8,9)10/h3-4H,2H2,1H3,(H,11,13)/t3-,4-/m1/s1
InChIKeyBTQIDGAINQMLLN-QWWZWVQMSA-N
MW211.14 g/mol
LogP0.23
Rot. Bonds1

About 2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide

2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide (PubChem CID 10262559) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide
PubChem CID10262559
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide
SMILESC[C@H]1C(=O)OC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c1-3-4(2-14-5(3)12)11-6(13)7(8,9)10/h3-4H,2H2,1H3,(H,11,13)/t3-,4-/m1/s1
InChIKeyBTQIDGAINQMLLN-QWWZWVQMSA-N
XLogP0.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-isovaleryl-L-homoserine lactone
CID 71627311
L-Homoserine lactone, N-trifluoroacetyl-
CID 14218578
L-Homoserine lactone, N-pentafluoropropionyl-
CID 88903143
N-Acetyl-g-hydroxyvaline lactone
CID 10749443
ethyl (2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 14949280
L-Valine, N-(trifluoroacetyl)-, butyl ester
CID 13783313
l-Valine, n-pentafluoropropionyl-, ethyl ester
CID 86238629
2,2,2-trifluoroethyl (2S)-2-acetamido-3-methylbutanoate
CID 135044606
N-Trifluoroacetyl-n-butyl ester of valine
CID 519002
2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide
CID 10059532
2,2,2-trifluoro-N-[(3S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide
CID 54421767
3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide
CID 71064663

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide (CID 10262559) is 2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide is C[C@H]1C(=O)OC[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide?
The InChIKey is BTQIDGAINQMLLN-QWWZWVQMSA-N. The full InChI is InChI=1S/C7H8F3NO3/c1-3-4(2-14-5(3)12)11-6(13)7(8,9)10/h3-4H,2H2,1H3,(H,11,13)/t3-,4-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide?
2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide has a molecular weight of 211.14 g/mol, XLogP of 0.23, 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-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 10262559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).