3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane

C12H15FO2S — CID 171358577

IUPAC3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane
SMILESCCC1(CS(=O)c2cccc(F)c2)COC1
InChIInChI=1S/C12H15FO2S/c1-2-12(7-15-8-12)9-16(14)11-5-3-4-10(13)6-11/h3-6H,2,7-9H2,1H3
InChIKeyCHCJFILGDUUBGN-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.36
Rot. Bonds4

About 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane

3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane (PubChem CID 171358577) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane
PubChem CID171358577
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane
SMILESCCC1(CS(=O)c2cccc(F)c2)COC1
InChIInChI=1S/C12H15FO2S/c1-2-12(7-15-8-12)9-16(14)11-5-3-4-10(13)6-11/h3-6H,2,7-9H2,1H3
InChIKeyCHCJFILGDUUBGN-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane?
The IUPAC name of 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane (CID 171358577) is 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane is CCC1(CS(=O)c2cccc(F)c2)COC1.
What is the InChIKey of 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane?
The InChIKey is CHCJFILGDUUBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-2-12(7-15-8-12)9-16(14)11-5-3-4-10(13)6-11/h3-6H,2,7-9H2,1H3.
What are the key properties of 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane?
3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane has a molecular weight of 242.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(3-fluorophenyl)sulfinylmethyl]oxetane is sourced from PubChem (CID 171358577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).