2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane

C4H3Cl2F3O — CID 151305254

IUPAC2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
SMILESCC1(C(F)(F)Cl)OC1(F)Cl
InChIInChI=1S/C4H3Cl2F3O/c1-2(3(5,7)8)4(6,9)10-2/h1H3
InChIKeyODGLINQUZIATFN-UHFFFAOYSA-N
MW194.97 g/mol
LogP2.47
Rot. Bonds1

About 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane

2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane (PubChem CID 151305254) has the molecular formula C4H3Cl2F3O and a molecular weight of 194.97 g/mol. Its IUPAC name is 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane.

Molecular Properties

Compound Name2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
PubChem CID151305254
Molecular FormulaC4H3Cl2F3O
Molecular Weight194.97 g/mol
Exact Mass193.95
IUPAC Name2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
SMILESCC1(C(F)(F)Cl)OC1(F)Cl
InChIInChI=1S/C4H3Cl2F3O/c1-2(3(5,7)8)4(6,9)10-2/h1H3
InChIKeyODGLINQUZIATFN-UHFFFAOYSA-N
XLogP2.47
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.97
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane?
The IUPAC name of 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane (CID 151305254) is 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane.
What is the SMILES notation for 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane?
The canonical SMILES for 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane is CC1(C(F)(F)Cl)OC1(F)Cl.
What is the InChIKey of 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane?
The InChIKey is ODGLINQUZIATFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2F3O/c1-2(3(5,7)8)4(6,9)10-2/h1H3.
What are the key properties of 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane?
2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane has a molecular weight of 194.97 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane is sourced from PubChem (CID 151305254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).