2-(4-fluorophenyl)-1,3-oxathiane

C10H11FOS — CID 15722047

IUPAC2-(4-fluorophenyl)-1,3-oxathiane
SMILESFc1ccc(C2OCCCS2)cc1
InChIInChI=1S/C10H11FOS/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2
InChIKeyYJJHGRMEIJLYEA-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.98
Rot. Bonds1

About 2-(4-fluorophenyl)-1,3-oxathiane

2-(4-fluorophenyl)-1,3-oxathiane (PubChem CID 15722047) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-oxathiane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-oxathiane
PubChem CID15722047
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name2-(4-fluorophenyl)-1,3-oxathiane
SMILESFc1ccc(C2OCCCS2)cc1
InChIInChI=1S/C10H11FOS/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2
InChIKeyYJJHGRMEIJLYEA-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-oxathiane?
The IUPAC name of 2-(4-fluorophenyl)-1,3-oxathiane (CID 15722047) is 2-(4-fluorophenyl)-1,3-oxathiane.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-oxathiane?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-oxathiane is Fc1ccc(C2OCCCS2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-oxathiane?
The InChIKey is YJJHGRMEIJLYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2.
What are the key properties of 2-(4-fluorophenyl)-1,3-oxathiane?
2-(4-fluorophenyl)-1,3-oxathiane has a molecular weight of 198.26 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-oxathiane is sourced from PubChem (CID 15722047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).