4-(4-fluorophenyl)sulfanylmorpholine

C10H12FNOS — CID 26794754

IUPAC4-(4-fluorophenyl)sulfanylmorpholine
SMILESFc1ccc(SN2CCOCC2)cc1
InChIInChI=1S/C10H12FNOS/c11-9-1-3-10(4-2-9)14-12-5-7-13-8-6-12/h1-4H,5-8H2
InChIKeyFPFKPXXJQZXQPB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.16
Rot. Bonds2

About 4-(4-fluorophenyl)sulfanylmorpholine

4-(4-fluorophenyl)sulfanylmorpholine (PubChem CID 26794754) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylmorpholine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylmorpholine
PubChem CID26794754
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name4-(4-fluorophenyl)sulfanylmorpholine
SMILESFc1ccc(SN2CCOCC2)cc1
InChIInChI=1S/C10H12FNOS/c11-9-1-3-10(4-2-9)14-12-5-7-13-8-6-12/h1-4H,5-8H2
InChIKeyFPFKPXXJQZXQPB-UHFFFAOYSA-N
XLogP2.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanylmorpholine?
The IUPAC name of 4-(4-fluorophenyl)sulfanylmorpholine (CID 26794754) is 4-(4-fluorophenyl)sulfanylmorpholine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylmorpholine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylmorpholine is Fc1ccc(SN2CCOCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylmorpholine?
The InChIKey is FPFKPXXJQZXQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-9-1-3-10(4-2-9)14-12-5-7-13-8-6-12/h1-4H,5-8H2.
What are the key properties of 4-(4-fluorophenyl)sulfanylmorpholine?
4-(4-fluorophenyl)sulfanylmorpholine has a molecular weight of 213.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanylmorpholine is sourced from PubChem (CID 26794754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).