2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane

C5H9FO2S — CID 102119014

IUPAC2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane
SMILESCS(=O)CC1(CF)CO1
InChIInChI=1S/C5H9FO2S/c1-9(7)4-5(2-6)3-8-5/h2-4H2,1H3
InChIKeyAJTFFQHEIWWHJN-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.10
Rot. Bonds3

About 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane

2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane (PubChem CID 102119014) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane.

Molecular Properties

Compound Name2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane
PubChem CID102119014
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane
SMILESCS(=O)CC1(CF)CO1
InChIInChI=1S/C5H9FO2S/c1-9(7)4-5(2-6)3-8-5/h2-4H2,1H3
InChIKeyAJTFFQHEIWWHJN-UHFFFAOYSA-N
XLogP0.10
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.10
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

2-(Methylsulfinylmethyl)-2-(trifluoromethyl)oxirane
CID 102119011
2-(Difluoromethyl)-2-(methylsulfinylmethyl)oxirane
CID 102119012
2-Methyl-3-methylsulfinyloxirane
CID 88871029
2-[(Methylsulfinyl)methyl]oxirane
CID 115474758
(3S)-2,2-dimethyl-3-methylsulfonyloxirane
CID 97629135
(3R)-2,2-dimethyl-3-methylsulfonyloxirane
CID 97629136
(3R)-3-ethylsulfonyl-2,2-dimethyloxirane
CID 97629137
(3S)-3-ethylsulfonyl-2,2-dimethyloxirane
CID 97629138
2,2-Dimethyl-3-methylsulfonyloxirane
CID 102567545
3-Ethylsulfonyl-2,2-dimethyloxirane
CID 102567546
2-(Tert-butylsulfinylmethyl)oxirane
CID 115474740
(2R)-2-(tert-butylsulfinylmethyl)oxirane
CID 130493515

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane?
The IUPAC name of 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane (CID 102119014) is 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane.
What is the SMILES notation for 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane?
The canonical SMILES for 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane is CS(=O)CC1(CF)CO1.
What is the InChIKey of 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane?
The InChIKey is AJTFFQHEIWWHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2S/c1-9(7)4-5(2-6)3-8-5/h2-4H2,1H3.
What are the key properties of 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane?
2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane has a molecular weight of 152.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2-(methylsulfinylmethyl)oxirane is sourced from PubChem (CID 102119014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).