1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine

C5H9F2NOS2 — CID 146595818

IUPAC1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine
SMILESFC1(F)CN(CCOSS)C1
InChIInChI=1S/C5H9F2NOS2/c6-5(7)3-8(4-5)1-2-9-11-10/h10H,1-4H2
InChIKeyILVKRJOGPOAWSM-UHFFFAOYSA-N
MW201.26 g/mol
LogP1.45
Rot. Bonds4

About 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine

1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine (PubChem CID 146595818) has the molecular formula C5H9F2NOS2 and a molecular weight of 201.26 g/mol. Its IUPAC name is 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine
PubChem CID146595818
Molecular FormulaC5H9F2NOS2
Molecular Weight201.26 g/mol
Exact Mass201.01
IUPAC Name1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine
SMILESFC1(F)CN(CCOSS)C1
InChIInChI=1S/C5H9F2NOS2/c6-5(7)3-8(4-5)1-2-9-11-10/h10H,1-4H2
InChIKeyILVKRJOGPOAWSM-UHFFFAOYSA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine?
The IUPAC name of 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine (CID 146595818) is 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine.
What is the SMILES notation for 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine?
The canonical SMILES for 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine is FC1(F)CN(CCOSS)C1.
What is the InChIKey of 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine?
The InChIKey is ILVKRJOGPOAWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NOS2/c6-5(7)3-8(4-5)1-2-9-11-10/h10H,1-4H2.
What are the key properties of 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine?
1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine has a molecular weight of 201.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(disulfanyloxy)ethyl]-3,3-difluoroazetidine is sourced from PubChem (CID 146595818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).