2,2,3-trifluorothiirane

C2HF3S — CID 54324343

IUPAC2,2,3-trifluorothiirane
SMILESFC1SC1(F)F
InChIInChI=1S/C2HF3S/c3-1-2(4,5)6-1/h1H
InChIKeySTVSMGCWYMNSME-UHFFFAOYSA-N
MW114.09 g/mol
LogP1.62
Rot. Bonds

About 2,2,3-trifluorothiirane

2,2,3-trifluorothiirane (PubChem CID 54324343) has the molecular formula C2HF3S and a molecular weight of 114.09 g/mol. Its IUPAC name is 2,2,3-trifluorothiirane.

Molecular Properties

Compound Name2,2,3-trifluorothiirane
PubChem CID54324343
Molecular FormulaC2HF3S
Molecular Weight114.09 g/mol
Exact Mass113.98
IUPAC Name2,2,3-trifluorothiirane
SMILESFC1SC1(F)F
InChIInChI=1S/C2HF3S/c3-1-2(4,5)6-1/h1H
InChIKeySTVSMGCWYMNSME-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.09
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluorothiirane?
The IUPAC name of 2,2,3-trifluorothiirane (CID 54324343) is 2,2,3-trifluorothiirane.
What is the SMILES notation for 2,2,3-trifluorothiirane?
The canonical SMILES for 2,2,3-trifluorothiirane is FC1SC1(F)F.
What is the InChIKey of 2,2,3-trifluorothiirane?
The InChIKey is STVSMGCWYMNSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3S/c3-1-2(4,5)6-1/h1H.
What are the key properties of 2,2,3-trifluorothiirane?
2,2,3-trifluorothiirane has a molecular weight of 114.09 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluorothiirane is sourced from PubChem (CID 54324343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).