3-(fluoromethyl)dithiirane

C2H3FS2 — CID 121366779

IUPAC3-(fluoromethyl)dithiirane
SMILESFCC1SS1
InChIInChI=1S/C2H3FS2/c3-1-2-4-5-2/h2H,1H2
InChIKeyHAALEUHCIUODNP-UHFFFAOYSA-N
MW110.18 g/mol
LogP1.68
Rot. Bonds1

About 3-(fluoromethyl)dithiirane

3-(fluoromethyl)dithiirane (PubChem CID 121366779) has the molecular formula C2H3FS2 and a molecular weight of 110.18 g/mol. Its IUPAC name is 3-(fluoromethyl)dithiirane.

Molecular Properties

Compound Name3-(fluoromethyl)dithiirane
PubChem CID121366779
Molecular FormulaC2H3FS2
Molecular Weight110.18 g/mol
Exact Mass109.97
IUPAC Name3-(fluoromethyl)dithiirane
SMILESFCC1SS1
InChIInChI=1S/C2H3FS2/c3-1-2-4-5-2/h2H,1H2
InChIKeyHAALEUHCIUODNP-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)dithiirane?
The IUPAC name of 3-(fluoromethyl)dithiirane (CID 121366779) is 3-(fluoromethyl)dithiirane.
What is the SMILES notation for 3-(fluoromethyl)dithiirane?
The canonical SMILES for 3-(fluoromethyl)dithiirane is FCC1SS1.
What is the InChIKey of 3-(fluoromethyl)dithiirane?
The InChIKey is HAALEUHCIUODNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FS2/c3-1-2-4-5-2/h2H,1H2.
What are the key properties of 3-(fluoromethyl)dithiirane?
3-(fluoromethyl)dithiirane has a molecular weight of 110.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)dithiirane is sourced from PubChem (CID 121366779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).