pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane

C3F8S — CID 23237448

IUPACpentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane
SMILESFC(F)(F)C#CS(F)(F)(F)(F)F
InChIInChI=1S/C3F8S/c4-3(5,6)1-2-12(7,8,9,10)11
InChIKeyONTRXDRGTGEVBC-UHFFFAOYSA-N
MW220.08 g/mol
LogP3.81
Rot. Bonds

About pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane

pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane (PubChem CID 23237448) has the molecular formula C3F8S and a molecular weight of 220.08 g/mol. Its IUPAC name is pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane
PubChem CID23237448
Molecular FormulaC3F8S
Molecular Weight220.08 g/mol
Exact Mass219.96
IUPAC Namepentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane
SMILESFC(F)(F)C#CS(F)(F)(F)(F)F
InChIInChI=1S/C3F8S/c4-3(5,6)1-2-12(7,8,9,10)11
InChIKeyONTRXDRGTGEVBC-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,4,4,4-hexafluorobut-2-yne
CID 178077881
carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium
CID 134981239
formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium
CID 173175881
tetrakis(3,3,3-trifluoroprop-1-ynyl)silane
CID 91719489
buta-1,3-diynyl(pentafluoro)-lambda6-sulfane
CID 13005308
CID 10951512
CID 10951512
1,1,1,4,4,5,5,6-octafluorohex-2-yne
CID 87288466
1,1,1,4,4,5,5,6,6,7,7,7-dodecafluorohept-2-yne
CID 46898415
7,7,7-trifluoro-2-methylhepta-3,5-diyn-2-ol
CID 13418312
CID 5370978
CID 5370978
manganese;bis(oxygen(2-));tetrafluoromethane
CID 159554496
3,3,3-trifluoroprop-1-ynylcyclohexane
CID 91536674

Frequently Asked Questions

What is the IUPAC name of pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane?
The IUPAC name of pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane (CID 23237448) is pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane?
The canonical SMILES for pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane is FC(F)(F)C#CS(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane?
The InChIKey is ONTRXDRGTGEVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8S/c4-3(5,6)1-2-12(7,8,9,10)11.
What are the key properties of pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane?
pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane has a molecular weight of 220.08 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane is sourced from PubChem (CID 23237448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).