2-[(2-fluorophenyl)sulfinylmethyl]oxirane

C9H9FO2S — CID 115474734

IUPAC2-[(2-fluorophenyl)sulfinylmethyl]oxirane
SMILESO=S(CC1CO1)c1ccccc1F
InChIInChI=1S/C9H9FO2S/c10-8-3-1-2-4-9(8)13(11)6-7-5-12-7/h1-4,7H,5-6H2
InChIKeyXWMDACKZJPBRFZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.33
Rot. Bonds3

About 2-[(2-fluorophenyl)sulfinylmethyl]oxirane

2-[(2-fluorophenyl)sulfinylmethyl]oxirane (PubChem CID 115474734) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfinylmethyl]oxirane.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfinylmethyl]oxirane
PubChem CID115474734
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name2-[(2-fluorophenyl)sulfinylmethyl]oxirane
SMILESO=S(CC1CO1)c1ccccc1F
InChIInChI=1S/C9H9FO2S/c10-8-3-1-2-4-9(8)13(11)6-7-5-12-7/h1-4,7H,5-6H2
InChIKeyXWMDACKZJPBRFZ-UHFFFAOYSA-N
XLogP1.33
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.33
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

(2S)-2-(benzenesulfinylmethyl)oxirane
CID 130493494
1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanone
CID 64635571
1-fluoro-2-propylsulfinylbenzene
CID 64717305
1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone
CID 104756239
2-[(4-bromophenyl)sulfinylmethyl]oxirane
CID 115474745
(2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane
CID 130493487
2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine
CID 79581435
2-(oxan-2-ylmethylsulfinyl)aniline
CID 61368624
5-[(2-fluorophenyl)sulfinylmethyl]-3-methylfuran-2-carboxylic acid
CID 61301768
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 61302612
1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene
CID 116790723

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfinylmethyl]oxirane?
The IUPAC name of 2-[(2-fluorophenyl)sulfinylmethyl]oxirane (CID 115474734) is 2-[(2-fluorophenyl)sulfinylmethyl]oxirane.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfinylmethyl]oxirane?
The canonical SMILES for 2-[(2-fluorophenyl)sulfinylmethyl]oxirane is O=S(CC1CO1)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfinylmethyl]oxirane?
The InChIKey is XWMDACKZJPBRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2S/c10-8-3-1-2-4-9(8)13(11)6-7-5-12-7/h1-4,7H,5-6H2.
What are the key properties of 2-[(2-fluorophenyl)sulfinylmethyl]oxirane?
2-[(2-fluorophenyl)sulfinylmethyl]oxirane has a molecular weight of 200.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfinylmethyl]oxirane is sourced from PubChem (CID 115474734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).