2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane

C10H10F2OS — CID 10536681

IUPAC2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane
SMILESCSC(F)(F)C1(c2ccccc2)CO1
InChIInChI=1S/C10H10F2OS/c1-14-10(11,12)9(7-13-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyDCOKVSBMZDOWOQ-UHFFFAOYSA-N
MW216.25 g/mol
LogP2.87
Rot. Bonds3

About 2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane

2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane (PubChem CID 10536681) has the molecular formula C10H10F2OS and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane.

Molecular Properties

Compound Name2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane
PubChem CID10536681
Molecular FormulaC10H10F2OS
Molecular Weight216.25 g/mol
Exact Mass216.04
IUPAC Name2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane
SMILESCSC(F)(F)C1(c2ccccc2)CO1
InChIInChI=1S/C10H10F2OS/c1-14-10(11,12)9(7-13-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyDCOKVSBMZDOWOQ-UHFFFAOYSA-N
XLogP2.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 52.87
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-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane?
The IUPAC name of 2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane (CID 10536681) is 2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane.
What is the SMILES notation for 2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane?
The canonical SMILES for 2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane is CSC(F)(F)C1(c2ccccc2)CO1.
What is the InChIKey of 2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane?
The InChIKey is DCOKVSBMZDOWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2OS/c1-14-10(11,12)9(7-13-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane?
2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane has a molecular weight of 216.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(methylsulfanyl)methyl]-2-phenyloxirane is sourced from PubChem (CID 10536681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).