trifluoromethylsulfanylethyne

C3HF3S — CID 88601623

IUPACtrifluoromethylsulfanylethyne
SMILESC#CSC(F)(F)F
InChIInChI=1S/C3HF3S/c1-2-7-3(4,5)6/h1H
InChIKeyCSBJJQBAOVEJQC-UHFFFAOYSA-N
MW126.10 g/mol
LogP1.83
Rot. Bonds

About trifluoromethylsulfanylethyne

trifluoromethylsulfanylethyne (PubChem CID 88601623) has the molecular formula C3HF3S and a molecular weight of 126.10 g/mol. Its IUPAC name is trifluoromethylsulfanylethyne.

Molecular Properties

Compound Nametrifluoromethylsulfanylethyne
PubChem CID88601623
Molecular FormulaC3HF3S
Molecular Weight126.10 g/mol
Exact Mass125.98
IUPAC Nametrifluoromethylsulfanylethyne
SMILESC#CSC(F)(F)F
InChIInChI=1S/C3HF3S/c1-2-7-3(4,5)6/h1H
InChIKeyCSBJJQBAOVEJQC-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.10
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfanylethyne?
The IUPAC name of trifluoromethylsulfanylethyne (CID 88601623) is trifluoromethylsulfanylethyne.
What is the SMILES notation for trifluoromethylsulfanylethyne?
The canonical SMILES for trifluoromethylsulfanylethyne is C#CSC(F)(F)F.
What is the InChIKey of trifluoromethylsulfanylethyne?
The InChIKey is CSBJJQBAOVEJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF3S/c1-2-7-3(4,5)6/h1H.
What are the key properties of trifluoromethylsulfanylethyne?
trifluoromethylsulfanylethyne has a molecular weight of 126.10 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfanylethyne is sourced from PubChem (CID 88601623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).