3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane

C11H13FO2S — CID 171356539

IUPAC3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane
SMILESCC1(CS(=O)c2cccc(F)c2)COC1
InChIInChI=1S/C11H13FO2S/c1-11(6-14-7-11)8-15(13)10-4-2-3-9(12)5-10/h2-5H,6-8H2,1H3
InChIKeyNOBVHUQACKGNAP-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.97
Rot. Bonds3

About 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane

3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane (PubChem CID 171356539) has the molecular formula C11H13FO2S and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane
PubChem CID171356539
Molecular FormulaC11H13FO2S
Molecular Weight228.29 g/mol
Exact Mass228.06
IUPAC Name3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane
SMILESCC1(CS(=O)c2cccc(F)c2)COC1
InChIInChI=1S/C11H13FO2S/c1-11(6-14-7-11)8-15(13)10-4-2-3-9(12)5-10/h2-5H,6-8H2,1H3
InChIKeyNOBVHUQACKGNAP-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane?
The IUPAC name of 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane (CID 171356539) is 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane?
The canonical SMILES for 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane is CC1(CS(=O)c2cccc(F)c2)COC1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane?
The InChIKey is NOBVHUQACKGNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2S/c1-11(6-14-7-11)8-15(13)10-4-2-3-9(12)5-10/h2-5H,6-8H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane?
3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane has a molecular weight of 228.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfinylmethyl]-3-methyloxetane is sourced from PubChem (CID 171356539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).