2-[(4-fluorophenyl)sulfanylmethyl]oxirane

C9H9FOS — CID 588223

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]oxirane
SMILESFc1ccc(SCC2CO2)cc1
InChIInChI=1S/C9H9FOS/c10-7-1-3-9(4-2-7)12-6-8-5-11-8/h1-4,8H,5-6H2
InChIKeyVCHCHRUKBNUQHI-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.32
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfanylmethyl]oxirane

2-[(4-fluorophenyl)sulfanylmethyl]oxirane (PubChem CID 588223) has the molecular formula C9H9FOS and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]oxirane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]oxirane
PubChem CID588223
Molecular FormulaC9H9FOS
Molecular Weight184.24 g/mol
Exact Mass184.04
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]oxirane
SMILESFc1ccc(SCC2CO2)cc1
InChIInChI=1S/C9H9FOS/c10-7-1-3-9(4-2-7)12-6-8-5-11-8/h1-4,8H,5-6H2
InChIKeyVCHCHRUKBNUQHI-UHFFFAOYSA-N
XLogP2.32
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.32
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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Related Compounds

CID 69685
CID 69685
CID 99788
CID 99788
CID 2737496
CID 2737496
CID 11094998
CID 11094998
CID 11356304
CID 11356304
CID 11356071
CID 11356071
CID 2759148
CID 2759148
CID 271506
CID 271506
CID 361776
CID 361776
CID 14532897
CID 14532897
CID 10800553
CID 10800553
CID 11276083
CID 11276083

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]oxirane?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]oxirane (CID 588223) is 2-[(4-fluorophenyl)sulfanylmethyl]oxirane.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]oxirane?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]oxirane is Fc1ccc(SCC2CO2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]oxirane?
The InChIKey is VCHCHRUKBNUQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FOS/c10-7-1-3-9(4-2-7)12-6-8-5-11-8/h1-4,8H,5-6H2.
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]oxirane?
2-[(4-fluorophenyl)sulfanylmethyl]oxirane has a molecular weight of 184.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]oxirane is sourced from PubChem (CID 588223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).