2,3,3,3-tetrafluoropropanethioyl fluoride

C3HF5S — CID 14597054

IUPAC2,3,3,3-tetrafluoropropanethioyl fluoride
SMILESFC(=S)C(F)C(F)(F)F
InChIInChI=1S/C3HF5S/c4-1(2(5)9)3(6,7)8/h1H
InChIKeyLLNMNRGWUZSVGP-UHFFFAOYSA-N
MW164.10 g/mol
LogP2.18
Rot. Bonds1

About 2,3,3,3-tetrafluoropropanethioyl fluoride

2,3,3,3-tetrafluoropropanethioyl fluoride (PubChem CID 14597054) has the molecular formula C3HF5S and a molecular weight of 164.10 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoropropanethioyl fluoride.

Molecular Properties

Compound Name2,3,3,3-tetrafluoropropanethioyl fluoride
PubChem CID14597054
Molecular FormulaC3HF5S
Molecular Weight164.10 g/mol
Exact Mass163.97
IUPAC Name2,3,3,3-tetrafluoropropanethioyl fluoride
SMILESFC(=S)C(F)C(F)(F)F
InChIInChI=1S/C3HF5S/c4-1(2(5)9)3(6,7)8/h1H
InChIKeyLLNMNRGWUZSVGP-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoropropanethioyl fluoride?
The IUPAC name of 2,3,3,3-tetrafluoropropanethioyl fluoride (CID 14597054) is 2,3,3,3-tetrafluoropropanethioyl fluoride.
What is the SMILES notation for 2,3,3,3-tetrafluoropropanethioyl fluoride?
The canonical SMILES for 2,3,3,3-tetrafluoropropanethioyl fluoride is FC(=S)C(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoropropanethioyl fluoride?
The InChIKey is LLNMNRGWUZSVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5S/c4-1(2(5)9)3(6,7)8/h1H.
What are the key properties of 2,3,3,3-tetrafluoropropanethioyl fluoride?
2,3,3,3-tetrafluoropropanethioyl fluoride has a molecular weight of 164.10 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoropropanethioyl fluoride is sourced from PubChem (CID 14597054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).