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

C10H10F2O2S — CID 129038015

IUPAC3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane
SMILESO=S(CC1(F)COC1)c1cccc(F)c1
InChIInChI=1S/C10H10F2O2S/c11-8-2-1-3-9(4-8)15(13)7-10(12)5-14-6-10/h1-4H,5-7H2
InChIKeyAHIMARHAUHFRAM-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.67
Rot. Bonds3

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

3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane (PubChem CID 129038015) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane.

Molecular Properties

Compound Name3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane
PubChem CID129038015
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Name3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane
SMILESO=S(CC1(F)COC1)c1cccc(F)c1
InChIInChI=1S/C10H10F2O2S/c11-8-2-1-3-9(4-8)15(13)7-10(12)5-14-6-10/h1-4H,5-7H2
InChIKeyAHIMARHAUHFRAM-UHFFFAOYSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane?
The IUPAC name of 3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane (CID 129038015) is 3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane.
What is the SMILES notation for 3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane?
The canonical SMILES for 3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane is O=S(CC1(F)COC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane?
The InChIKey is AHIMARHAUHFRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2S/c11-8-2-1-3-9(4-8)15(13)7-10(12)5-14-6-10/h1-4H,5-7H2.
What are the key properties of 3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane?
3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane has a molecular weight of 232.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]oxetane is sourced from PubChem (CID 129038015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).