2-fluoroethynyl(trifluoromethyl)xenon

C3F4Xe — CID 102441264

IUPAC2-fluoroethynyl(trifluoromethyl)xenon
SMILESFC#C[Xe]C(F)(F)F
InChIInChI=1S/C3F4Xe/c4-1-2-8-3(5,6)7
InChIKeySAEXSWBPBOWDCS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.48
Rot. Bonds

About 2-fluoroethynyl(trifluoromethyl)xenon

2-fluoroethynyl(trifluoromethyl)xenon (PubChem CID 102441264) has the molecular formula C3F4Xe and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-fluoroethynyl(trifluoromethyl)xenon.

Molecular Properties

Compound Name2-fluoroethynyl(trifluoromethyl)xenon
PubChem CID102441264
Molecular FormulaC3F4Xe
Molecular Weight243.31 g/mol
Exact Mass243.90
IUPAC Name2-fluoroethynyl(trifluoromethyl)xenon
SMILESFC#C[Xe]C(F)(F)F
InChIInChI=1S/C3F4Xe/c4-1-2-8-3(5,6)7
InChIKeySAEXSWBPBOWDCS-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-fluoroethynyl(trifluoromethyl)xenon with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethynyl(trifluoromethyl)xenon?
The IUPAC name of 2-fluoroethynyl(trifluoromethyl)xenon (CID 102441264) is 2-fluoroethynyl(trifluoromethyl)xenon.
What is the SMILES notation for 2-fluoroethynyl(trifluoromethyl)xenon?
The canonical SMILES for 2-fluoroethynyl(trifluoromethyl)xenon is FC#C[Xe]C(F)(F)F.
What is the InChIKey of 2-fluoroethynyl(trifluoromethyl)xenon?
The InChIKey is SAEXSWBPBOWDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F4Xe/c4-1-2-8-3(5,6)7.
What are the key properties of 2-fluoroethynyl(trifluoromethyl)xenon?
2-fluoroethynyl(trifluoromethyl)xenon has a molecular weight of 243.31 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethynyl(trifluoromethyl)xenon is sourced from PubChem (CID 102441264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).