2-[(4-fluorophenyl)sulfinylmethyl]oxane

C12H15FO2S — CID 64715857

IUPAC2-[(4-fluorophenyl)sulfinylmethyl]oxane
SMILESO=S(CC1CCCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H15FO2S/c13-10-4-6-12(7-5-10)16(14)9-11-3-1-2-8-15-11/h4-7,11H,1-3,8-9H2
InChIKeySRRQPKOLBXVHPJ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.50
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfinylmethyl]oxane

2-[(4-fluorophenyl)sulfinylmethyl]oxane (PubChem CID 64715857) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfinylmethyl]oxane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfinylmethyl]oxane
PubChem CID64715857
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name2-[(4-fluorophenyl)sulfinylmethyl]oxane
SMILESO=S(CC1CCCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H15FO2S/c13-10-4-6-12(7-5-10)16(14)9-11-3-1-2-8-15-11/h4-7,11H,1-3,8-9H2
InChIKeySRRQPKOLBXVHPJ-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]oxane?
The IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]oxane (CID 64715857) is 2-[(4-fluorophenyl)sulfinylmethyl]oxane.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfinylmethyl]oxane?
The canonical SMILES for 2-[(4-fluorophenyl)sulfinylmethyl]oxane is O=S(CC1CCCCO1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfinylmethyl]oxane?
The InChIKey is SRRQPKOLBXVHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c13-10-4-6-12(7-5-10)16(14)9-11-3-1-2-8-15-11/h4-7,11H,1-3,8-9H2.
What are the key properties of 2-[(4-fluorophenyl)sulfinylmethyl]oxane?
2-[(4-fluorophenyl)sulfinylmethyl]oxane has a molecular weight of 242.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfinylmethyl]oxane is sourced from PubChem (CID 64715857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).