1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine

C6H11F2NOS2 — CID 146595650

IUPAC1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine
SMILESFCC1(F)CN(CCOSS)C1
InChIInChI=1S/C6H11F2NOS2/c7-3-6(8)4-9(5-6)1-2-10-12-11/h11H,1-5H2
InChIKeyXJFSUZYVLIZFHH-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine

1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine (PubChem CID 146595650) has the molecular formula C6H11F2NOS2 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine.

Molecular Properties

Compound Name1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine
PubChem CID146595650
Molecular FormulaC6H11F2NOS2
Molecular Weight215.29 g/mol
Exact Mass215.03
IUPAC Name1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine
SMILESFCC1(F)CN(CCOSS)C1
InChIInChI=1S/C6H11F2NOS2/c7-3-6(8)4-9(5-6)1-2-10-12-11/h11H,1-5H2
InChIKeyXJFSUZYVLIZFHH-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.49
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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Related Compounds

2-(3,3-Difluoroazetidin-1-yl)ethyl hypoiodite
CID 137445461
3-Fluoro-3-(fluoromethyl)-1-(2-methylsulfanyloxyethyl)azetidine
CID 146595639
1-[2-(Disulfanyloxy)ethyl]-3,3-difluoroazetidine
CID 146595818
1-[2-(Disulfanyloxy)ethyl]azetidine
CID 146599908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine?
The IUPAC name of 1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine (CID 146595650) is 1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine.
What is the SMILES notation for 1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine?
The canonical SMILES for 1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine is FCC1(F)CN(CCOSS)C1.
What is the InChIKey of 1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine?
The InChIKey is XJFSUZYVLIZFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NOS2/c7-3-6(8)4-9(5-6)1-2-10-12-11/h11H,1-5H2.
What are the key properties of 1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine?
1-[2-(disulfanyloxy)ethyl]-3-fluoro-3-(fluoromethyl)azetidine has a molecular weight of 215.29 g/mol, XLogP of 1.49, 5 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-fluoro-3-(fluoromethyl)azetidine is sourced from PubChem (CID 146595650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).