2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride

C12H8ClF4NO3 — CID 57102164

IUPAC2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride
SMILESO=C(Cl)CC1OCN(c2ccc(F)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H8ClF4NO3/c13-10(19)4-9-11(20)18(5-21-9)6-1-2-8(14)7(3-6)12(15,16)17/h1-3,9H,4-5H2
InChIKeyPDLOAOSQPSWUNJ-UHFFFAOYSA-N
MW325.65 g/mol
LogP2.69
Rot. Bonds3

About 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride

2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride (PubChem CID 57102164) has the molecular formula C12H8ClF4NO3 and a molecular weight of 325.65 g/mol. Its IUPAC name is 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride.

Molecular Properties

Compound Name2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride
PubChem CID57102164
Molecular FormulaC12H8ClF4NO3
Molecular Weight325.65 g/mol
Exact Mass325.01
IUPAC Name2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride
SMILESO=C(Cl)CC1OCN(c2ccc(F)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H8ClF4NO3/c13-10(19)4-9-11(20)18(5-21-9)6-1-2-8(14)7(3-6)12(15,16)17/h1-3,9H,4-5H2
InChIKeyPDLOAOSQPSWUNJ-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.65
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

4-(Chloromethyl)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 85544358
5-Chloro-3-(3-trifluoromethylphenyl)oxazolidin-4-one
CID 21475339
Ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate
CID 54281327
2-[3-[4-Fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 54282191
5-Ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one
CID 58466099
2-[4-Oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid
CID 66792688
3-[3-(Trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 140977129
5-Methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 143901480
[2-Oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate
CID 154167183
3-[4-Fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 173537369
(3S)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl chloride
CID 30031898
(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl chloride
CID 30031901

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride?
The IUPAC name of 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride (CID 57102164) is 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride.
What is the SMILES notation for 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride?
The canonical SMILES for 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride is O=C(Cl)CC1OCN(c2ccc(F)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride?
The InChIKey is PDLOAOSQPSWUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4NO3/c13-10(19)4-9-11(20)18(5-21-9)6-1-2-8(14)7(3-6)12(15,16)17/h1-3,9H,4-5H2.
What are the key properties of 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride?
2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride has a molecular weight of 325.65 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride is sourced from PubChem (CID 57102164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).