3,3,3-trifluoropropanethioyl fluoride

C3H2F4S — CID 23035803

IUPAC3,3,3-trifluoropropanethioyl fluoride
SMILESFC(=S)CC(F)(F)F
InChIInChI=1S/C3H2F4S/c4-2(8)1-3(5,6)7/h1H2
InChIKeyDMUSEJDAYBTICO-UHFFFAOYSA-N
MW146.11 g/mol
LogP2.24
Rot. Bonds1

About 3,3,3-trifluoropropanethioyl fluoride

3,3,3-trifluoropropanethioyl fluoride (PubChem CID 23035803) has the molecular formula C3H2F4S and a molecular weight of 146.11 g/mol. Its IUPAC name is 3,3,3-trifluoropropanethioyl fluoride.

Molecular Properties

Compound Name3,3,3-trifluoropropanethioyl fluoride
PubChem CID23035803
Molecular FormulaC3H2F4S
Molecular Weight146.11 g/mol
Exact Mass145.98
IUPAC Name3,3,3-trifluoropropanethioyl fluoride
SMILESFC(=S)CC(F)(F)F
InChIInChI=1S/C3H2F4S/c4-2(8)1-3(5,6)7/h1H2
InChIKeyDMUSEJDAYBTICO-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 52.24
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 3,3,3-trifluoropropanethioyl fluoride?
The IUPAC name of 3,3,3-trifluoropropanethioyl fluoride (CID 23035803) is 3,3,3-trifluoropropanethioyl fluoride.
What is the SMILES notation for 3,3,3-trifluoropropanethioyl fluoride?
The canonical SMILES for 3,3,3-trifluoropropanethioyl fluoride is FC(=S)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropanethioyl fluoride?
The InChIKey is DMUSEJDAYBTICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4S/c4-2(8)1-3(5,6)7/h1H2.
What are the key properties of 3,3,3-trifluoropropanethioyl fluoride?
3,3,3-trifluoropropanethioyl fluoride has a molecular weight of 146.11 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropanethioyl fluoride is sourced from PubChem (CID 23035803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).