2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane

C10H12F2OS — CID 58079293

IUPAC2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane
SMILESCC(CF)(CF)C1(c2cccs2)CO1
InChIInChI=1S/C10H12F2OS/c1-9(5-11,6-12)10(7-13-10)8-3-2-4-14-8/h2-4H,5-7H2,1H3
InChIKeyXQSKTNBPBIUPGK-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.92
Rot. Bonds4

About 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane

2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane (PubChem CID 58079293) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane.

Molecular Properties

Compound Name2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane
PubChem CID58079293
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane
SMILESCC(CF)(CF)C1(c2cccs2)CO1
InChIInChI=1S/C10H12F2OS/c1-9(5-11,6-12)10(7-13-10)8-3-2-4-14-8/h2-4H,5-7H2,1H3
InChIKeyXQSKTNBPBIUPGK-UHFFFAOYSA-N
XLogP2.92
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane?
The IUPAC name of 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane (CID 58079293) is 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane.
What is the SMILES notation for 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane?
The canonical SMILES for 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane is CC(CF)(CF)C1(c2cccs2)CO1.
What is the InChIKey of 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane?
The InChIKey is XQSKTNBPBIUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-9(5-11,6-12)10(7-13-10)8-3-2-4-14-8/h2-4H,5-7H2,1H3.
What are the key properties of 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane?
2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane has a molecular weight of 218.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoro-2-methylpropan-2-yl)-2-thiophen-2-yloxirane is sourced from PubChem (CID 58079293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).