2-(3-fluorophenyl)sulfanyloxane

C11H13FOS — CID 53483236

IUPAC2-(3-fluorophenyl)sulfanyloxane
SMILESFc1cccc(SC2CCCCO2)c1
InChIInChI=1S/C11H13FOS/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2
InChIKeyUHCUNEQMMYDCCO-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.44
Rot. Bonds2

About 2-(3-fluorophenyl)sulfanyloxane

2-(3-fluorophenyl)sulfanyloxane (PubChem CID 53483236) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyloxane.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyloxane
PubChem CID53483236
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name2-(3-fluorophenyl)sulfanyloxane
SMILESFc1cccc(SC2CCCCO2)c1
InChIInChI=1S/C11H13FOS/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2
InChIKeyUHCUNEQMMYDCCO-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(Phenylthio)tetrahydrofuran
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[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
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Ethyl 2-(4-fluorophenylthio)acetate
CID 271497
1-(1-Butoxyethylsulfanyl)-4-fluorobenzene
CID 101898093
2-(4-Fluorophenylthio)ethyl acetate
CID 155919895
1-Fluoro-4-[3-(2,2,3,3-tetrafluoropropoxy)propylsulfanyl]benzene
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1-Butoxy-2-phenylmercaptoethane
CID 271491

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyloxane?
The IUPAC name of 2-(3-fluorophenyl)sulfanyloxane (CID 53483236) is 2-(3-fluorophenyl)sulfanyloxane.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyloxane?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyloxane is Fc1cccc(SC2CCCCO2)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyloxane?
The InChIKey is UHCUNEQMMYDCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2.
What are the key properties of 2-(3-fluorophenyl)sulfanyloxane?
2-(3-fluorophenyl)sulfanyloxane has a molecular weight of 212.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyloxane is sourced from PubChem (CID 53483236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).