2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride

C7H4F7NO3 — CID 101369503

IUPAC2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride
SMILESO=C(F)C[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C7H4F7NO3/c8-3(16)1-2-4(17)18-5(15-2,6(9,10)11)7(12,13)14/h2,15H,1H2/t2-/m0/s1
InChIKeyNHKWMSZGBLOIEF-REOHCLBHSA-N
MW283.10 g/mol
LogP1.21
Rot. Bonds2

About 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride

2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride (PubChem CID 101369503) has the molecular formula C7H4F7NO3 and a molecular weight of 283.10 g/mol. Its IUPAC name is 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride.

Molecular Properties

Compound Name2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride
PubChem CID101369503
Molecular FormulaC7H4F7NO3
Molecular Weight283.10 g/mol
Exact Mass283.01
IUPAC Name2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride
SMILESO=C(F)C[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C7H4F7NO3/c8-3(16)1-2-4(17)18-5(15-2,6(9,10)11)7(12,13)14/h2,15H,1H2/t2-/m0/s1
InChIKeyNHKWMSZGBLOIEF-REOHCLBHSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride?
The IUPAC name of 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride (CID 101369503) is 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride.
What is the SMILES notation for 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride?
The canonical SMILES for 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride is O=C(F)C[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O.
What is the InChIKey of 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride?
The InChIKey is NHKWMSZGBLOIEF-REOHCLBHSA-N. The full InChI is InChI=1S/C7H4F7NO3/c8-3(16)1-2-4(17)18-5(15-2,6(9,10)11)7(12,13)14/h2,15H,1H2/t2-/m0/s1.
What are the key properties of 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride?
2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride has a molecular weight of 283.10 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride is sourced from PubChem (CID 101369503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).